N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C14H17N7O2 — CID 90651733

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C14H17N7O2/c1-9(2)6-20-8-15-3-10(20)4-16-12(22)11-5-17-14-18-7-19-21(14)13(11)23/h3,5,7-9H,4,6H2,1-2H3,(H,16,22)(H,17,18,19)
InChIKeyKVFVDIUHJGDJCZ-UHFFFAOYSA-N
MW315.34 g/mol
LogP0.20
Rot. Bonds5

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90651733) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90651733
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C14H17N7O2/c1-9(2)6-20-8-15-3-10(20)4-16-12(22)11-5-17-14-18-7-19-21(14)13(11)23/h3,5,7-9H,4,6H2,1-2H3,(H,16,22)(H,17,18,19)
InChIKeyKVFVDIUHJGDJCZ-UHFFFAOYSA-N
XLogP0.20
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 90651733) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)Cn1cncc1CNC(=O)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KVFVDIUHJGDJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-9(2)6-20-8-15-3-10(20)4-16-12(22)11-5-17-14-18-7-19-21(14)13(11)23/h3,5,7-9H,4,6H2,1-2H3,(H,16,22)(H,17,18,19).
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90651733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).