2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C95H79N25 — CID 157186128

IUPAC2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3cccnc3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccncc3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/3C24H20N6.C23H19N7/c1-17-12-20(16-26-13-17)23-28-24(27-15-18-6-5-10-25-14-18)22-21(9-11-30(22)29-23)19-7-3-2-4-8-19;1-17-13-19(15-25-14-17)23-28-24(27-16-20-9-5-6-11-26-20)22-21(10-12-30(22)29-23)18-7-3-2-4-8-18;1-17-13-20(16-26-14-17)23-28-24(27-15-18-7-10-25-11-8-18)22-21(9-12-30(22)29-23)19-5-3-2-4-6-19;1-16-11-18(13-25-12-16)22-28-23(27-15-19-14-24-8-9-26-19)21-20(7-10-30(21)29-22)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,27,28,29);2-15H,16H2,1H3,(H,27,28,29);2-14,16H,15H2,1H3,(H,27,28,29);2-14H,15H2,1H3,(H,27,28,29)
InChIKeyAPDHKHRPYHJJJU-UHFFFAOYSA-N
MW1570.85 g/mol
LogP18.49
Rot. Bonds20

About 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 157186128) has the molecular formula C95H79N25 and a molecular weight of 1570.85 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID157186128
Molecular FormulaC95H79N25
Molecular Weight1570.85 g/mol
Exact Mass1569.70
IUPAC Name2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3cccnc3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccncc3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/3C24H20N6.C23H19N7/c1-17-12-20(16-26-13-17)23-28-24(27-15-18-6-5-10-25-14-18)22-21(9-11-30(22)29-23)19-7-3-2-4-8-19;1-17-13-19(15-25-14-17)23-28-24(27-16-20-9-5-6-11-26-20)22-21(10-12-30(22)29-23)18-7-3-2-4-8-18;1-17-13-20(16-26-14-17)23-28-24(27-15-18-7-10-25-11-8-18)22-21(9-12-30(22)29-23)19-5-3-2-4-6-19;1-16-11-18(13-25-12-16)22-28-23(27-15-19-14-24-8-9-26-19)21-20(7-10-30(21)29-22)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,27,28,29);2-15H,16H2,1H3,(H,27,28,29);2-14,16H,15H2,1H3,(H,27,28,29);2-14H,15H2,1H3,(H,27,28,29)
InChIKeyAPDHKHRPYHJJJU-UHFFFAOYSA-N
XLogP18.49
TPSA284.89 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001570.85
LogP ≤ 518.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 157186128) is 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3cccnc3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccncc3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is APDHKHRPYHJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H20N6.C23H19N7/c1-17-12-20(16-26-13-17)23-28-24(27-15-18-6-5-10-25-14-18)22-21(9-11-30(22)29-23)19-7-3-2-4-8-19;1-17-13-19(15-25-14-17)23-28-24(27-16-20-9-5-6-11-26-20)22-21(10-12-30(22)29-23)18-7-3-2-4-8-18;1-17-13-20(16-26-14-17)23-28-24(27-15-18-7-10-25-11-8-18)22-21(9-12-30(22)29-23)19-5-3-2-4-6-19;1-16-11-18(13-25-12-16)22-28-23(27-15-19-14-24-8-9-26-19)21-20(7-10-30(21)29-22)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,27,28,29);2-15H,16H2,1H3,(H,27,28,29);2-14,16H,15H2,1H3,(H,27,28,29);2-14H,15H2,1H3,(H,27,28,29).
What are the key properties of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1570.85 g/mol, XLogP of 18.49, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 157186128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).