1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide

C20H19N9O — CID 126480572

IUPAC1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide
SMILESCn1nc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)nc1C1(c2ccccc2)CC1
InChIInChI=1S/C20H19N9O/c1-28-19(20(7-8-20)13-5-3-2-4-6-13)26-17(27-28)14-10-23-15(21)18(25-14)29-11-12(9-24-29)16(22)30/h2-6,9-11H,7-8H2,1H3,(H2,21,23)(H2,22,30)
InChIKeyIYQNBZMEHITBAA-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.22
Rot. Bonds5

About 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide

1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide (PubChem CID 126480572) has the molecular formula C20H19N9O and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide
PubChem CID126480572
Molecular FormulaC20H19N9O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide
SMILESCn1nc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)nc1C1(c2ccccc2)CC1
InChIInChI=1S/C20H19N9O/c1-28-19(20(7-8-20)13-5-3-2-4-6-13)26-17(27-28)14-10-23-15(21)18(25-14)29-11-12(9-24-29)16(22)30/h2-6,9-11H,7-8H2,1H3,(H2,21,23)(H2,22,30)
InChIKeyIYQNBZMEHITBAA-UHFFFAOYSA-N
XLogP1.22
TPSA143.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide (CID 126480572) is 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide is Cn1nc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)nc1C1(c2ccccc2)CC1.
What is the InChIKey of 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide?
The InChIKey is IYQNBZMEHITBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O/c1-28-19(20(7-8-20)13-5-3-2-4-6-13)26-17(27-28)14-10-23-15(21)18(25-14)29-11-12(9-24-29)16(22)30/h2-6,9-11H,7-8H2,1H3,(H2,21,23)(H2,22,30).
What are the key properties of 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide?
1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).