(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone

C17H19N7O — CID 129007924

IUPAC(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2cncc(N3CCN(C(=O)c4ncccc4C)CC3)n2n1
InChIInChI=1S/C17H19N7O/c1-12-4-3-5-19-16(12)17(25)23-8-6-22(7-9-23)15-11-18-10-14-20-13(2)21-24(14)15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYBBXNZCFQVMXRU-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.10
Rot. Bonds2

About (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone

(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone (PubChem CID 129007924) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
PubChem CID129007924
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2cncc(N3CCN(C(=O)c4ncccc4C)CC3)n2n1
InChIInChI=1S/C17H19N7O/c1-12-4-3-5-19-16(12)17(25)23-8-6-22(7-9-23)15-11-18-10-14-20-13(2)21-24(14)15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYBBXNZCFQVMXRU-UHFFFAOYSA-N
XLogP1.10
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone (CID 129007924) is (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone is Cc1nc2cncc(N3CCN(C(=O)c4ncccc4C)CC3)n2n1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
The InChIKey is YBBXNZCFQVMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-4-3-5-19-16(12)17(25)23-8-6-22(7-9-23)15-11-18-10-14-20-13(2)21-24(14)15/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone has a molecular weight of 337.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129007924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).