N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C13H12N8O2 — CID 169423319

IUPACN-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCC1=NNC2C(=O)NC=CN12)c1ccnc2ccnn12
InChIInChI=1S/C13H12N8O2/c22-12(8-1-3-14-9-2-4-17-21(8)9)16-7-10-18-19-11-13(23)15-5-6-20(10)11/h1-6,11,19H,7H2,(H,15,23)(H,16,22)
InChIKeyQHFRNKDVWQBDNE-UHFFFAOYSA-N
MW312.29 g/mol
LogP-1.40
Rot. Bonds3

About N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 169423319) has the molecular formula C13H12N8O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID169423319
Molecular FormulaC13H12N8O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCC1=NNC2C(=O)NC=CN12)c1ccnc2ccnn12
InChIInChI=1S/C13H12N8O2/c22-12(8-1-3-14-9-2-4-17-21(8)9)16-7-10-18-19-11-13(23)15-5-6-20(10)11/h1-6,11,19H,7H2,(H,15,23)(H,16,22)
InChIKeyQHFRNKDVWQBDNE-UHFFFAOYSA-N
XLogP-1.40
TPSA116.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 169423319) is N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NCC1=NNC2C(=O)NC=CN12)c1ccnc2ccnn12.
What is the InChIKey of N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is QHFRNKDVWQBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8O2/c22-12(8-1-3-14-9-2-4-17-21(8)9)16-7-10-18-19-11-13(23)15-5-6-20(10)11/h1-6,11,19H,7H2,(H,15,23)(H,16,22).
What are the key properties of N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 312.29 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 169423319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).