6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C10H13N5O2 — CID 99810661

IUPAC6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1c(C)nc2nc(C(=O)NC)[nH]n2c1=O
InChIInChI=1S/C10H13N5O2/c1-4-6-5(2)12-10-13-7(8(16)11-3)14-15(10)9(6)17/h4H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyRRTIDWGNIWGOAV-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.35
Rot. Bonds2

About 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 99810661) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID99810661
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1c(C)nc2nc(C(=O)NC)[nH]n2c1=O
InChIInChI=1S/C10H13N5O2/c1-4-6-5(2)12-10-13-7(8(16)11-3)14-15(10)9(6)17/h4H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyRRTIDWGNIWGOAV-UHFFFAOYSA-N
XLogP-0.35
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 99810661) is 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCc1c(C)nc2nc(C(=O)NC)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RRTIDWGNIWGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4-6-5(2)12-10-13-7(8(16)11-3)14-15(10)9(6)17/h4H2,1-3H3,(H,11,16)(H,12,13,14).
What are the key properties of 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 99810661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).