N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide

C7H7N5O2 — CID 135578021

IUPACN-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide
SMILESCc1nc2cc(NC=O)[nH]c(=O)n2n1
InChIInChI=1S/C7H7N5O2/c1-4-9-6-2-5(8-3-13)10-7(14)12(6)11-4/h2-3H,1H3,(H,8,13)(H,10,14)
InChIKeyYXRDZUXIGIDTGS-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.71
Rot. Bonds2

About N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide

N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide (PubChem CID 135578021) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide.

Molecular Properties

Compound NameN-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide
PubChem CID135578021
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC NameN-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide
SMILESCc1nc2cc(NC=O)[nH]c(=O)n2n1
InChIInChI=1S/C7H7N5O2/c1-4-9-6-2-5(8-3-13)10-7(14)12(6)11-4/h2-3H,1H3,(H,8,13)(H,10,14)
InChIKeyYXRDZUXIGIDTGS-UHFFFAOYSA-N
XLogP-0.71
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide?
The IUPAC name of N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide (CID 135578021) is N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide.
What is the SMILES notation for N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide?
The canonical SMILES for N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide is Cc1nc2cc(NC=O)[nH]c(=O)n2n1.
What is the InChIKey of N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide?
The InChIKey is YXRDZUXIGIDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-4-9-6-2-5(8-3-13)10-7(14)12(6)11-4/h2-3H,1H3,(H,8,13)(H,10,14).
What are the key properties of N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide?
N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide has a molecular weight of 193.17 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide is sourced from PubChem (CID 135578021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).