2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C22H19N9 — CID 78321149

IUPAC2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1cncc(-c2nc(NCc3ccccn3)c3c(-c4cncc(N)c4)ccn3n2)c1
InChIInChI=1S/C22H19N9/c23-16-7-14(9-25-11-16)19-4-6-31-20(19)22(28-13-18-3-1-2-5-27-18)29-21(30-31)15-8-17(24)12-26-10-15/h1-12H,13,23-24H2,(H,28,29,30)
InChIKeyUFCMKUQYEPBEHF-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.02
Rot. Bonds5

About 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 78321149) has the molecular formula C22H19N9 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID78321149
Molecular FormulaC22H19N9
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1cncc(-c2nc(NCc3ccccn3)c3c(-c4cncc(N)c4)ccn3n2)c1
InChIInChI=1S/C22H19N9/c23-16-7-14(9-25-11-16)19-4-6-31-20(19)22(28-13-18-3-1-2-5-27-18)29-21(30-31)15-8-17(24)12-26-10-15/h1-12H,13,23-24H2,(H,28,29,30)
InChIKeyUFCMKUQYEPBEHF-UHFFFAOYSA-N
XLogP3.02
TPSA132.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile
CID 78321150
1-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]ethanone
CID 118124012
3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile
CID 144706501
5-[5-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
CID 90386121
ethyl 2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfanylamino]acetate
CID 144706569
5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide
CID 90386122
2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118124101
5-phenyl-2-(1H-pyrazol-5-yl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90395153
5-[5-phenyl-4-(pyrazin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
CID 90395165
2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118124133
N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide
CID 78324895
N-benzyl-2-(5-ethyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118124082

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 78321149) is 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4cncc(N)c4)ccn3n2)c1.
What is the InChIKey of 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UFCMKUQYEPBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N9/c23-16-7-14(9-25-11-16)19-4-6-31-20(19)22(28-13-18-3-1-2-5-27-18)29-21(30-31)15-8-17(24)12-26-10-15/h1-12H,13,23-24H2,(H,28,29,30).
What are the key properties of 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 409.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 78321149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).