3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C17H20N8O — CID 167815764

IUPAC3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1ccnc(-n2nccc2NC(=O)C2Cn3c(C)nnc3CN2C)c1
InChIInChI=1S/C17H20N8O/c1-11-4-6-18-15(8-11)25-14(5-7-19-25)20-17(26)13-9-24-12(2)21-22-16(24)10-23(13)3/h4-8,13H,9-10H2,1-3H3,(H,20,26)
InChIKeySNIDZDFDTPYIEL-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.93
Rot. Bonds3

About 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 167815764) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID167815764
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1ccnc(-n2nccc2NC(=O)C2Cn3c(C)nnc3CN2C)c1
InChIInChI=1S/C17H20N8O/c1-11-4-6-18-15(8-11)25-14(5-7-19-25)20-17(26)13-9-24-12(2)21-22-16(24)10-23(13)3/h4-8,13H,9-10H2,1-3H3,(H,20,26)
InChIKeySNIDZDFDTPYIEL-UHFFFAOYSA-N
XLogP0.93
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 167815764) is 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is Cc1ccnc(-n2nccc2NC(=O)C2Cn3c(C)nnc3CN2C)c1.
What is the InChIKey of 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is SNIDZDFDTPYIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-11-4-6-18-15(8-11)25-14(5-7-19-25)20-17(26)13-9-24-12(2)21-22-16(24)10-23(13)3/h4-8,13H,9-10H2,1-3H3,(H,20,26).
What are the key properties of 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 167815764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).