5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C15H15N9O2 — CID 146047046

IUPAC5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1CCn2nc(C(=O)NCc3nc(-c4cnccn4)n[nH]3)cc2C1=O
InChIInChI=1S/C15H15N9O2/c1-23-4-5-24-11(15(23)26)6-9(22-24)14(25)18-8-12-19-13(21-20-12)10-7-16-2-3-17-10/h2-3,6-7H,4-5,8H2,1H3,(H,18,25)(H,19,20,21)
InChIKeyNDQFONIKQUSJFG-UHFFFAOYSA-N
MW353.35 g/mol
LogP-0.53
Rot. Bonds4

About 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 146047046) has the molecular formula C15H15N9O2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID146047046
Molecular FormulaC15H15N9O2
Molecular Weight353.35 g/mol
Exact Mass353.13
IUPAC Name5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1CCn2nc(C(=O)NCc3nc(-c4cnccn4)n[nH]3)cc2C1=O
InChIInChI=1S/C15H15N9O2/c1-23-4-5-24-11(15(23)26)6-9(22-24)14(25)18-8-12-19-13(21-20-12)10-7-16-2-3-17-10/h2-3,6-7H,4-5,8H2,1H3,(H,18,25)(H,19,20,21)
InChIKeyNDQFONIKQUSJFG-UHFFFAOYSA-N
XLogP-0.53
TPSA134.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 146047046) is 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CN1CCn2nc(C(=O)NCc3nc(-c4cnccn4)n[nH]3)cc2C1=O.
What is the InChIKey of 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NDQFONIKQUSJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9O2/c1-23-4-5-24-11(15(23)26)6-9(22-24)14(25)18-8-12-19-13(21-20-12)10-7-16-2-3-17-10/h2-3,6-7H,4-5,8H2,1H3,(H,18,25)(H,19,20,21).
What are the key properties of 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 353.35 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146047046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).