N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide

C6H10N4O — CID 59693815

IUPACN-ethyl-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCCNC(=O)c1ncn(C)n1
InChIInChI=1S/C6H10N4O/c1-3-7-6(11)5-8-4-10(2)9-5/h4H,3H2,1-2H3,(H,7,11)
InChIKeyXJRLUVPFQNTRAX-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.44
Rot. Bonds2

About N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide

N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 59693815) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID59693815
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-ethyl-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCCNC(=O)c1ncn(C)n1
InChIInChI=1S/C6H10N4O/c1-3-7-6(11)5-8-4-10(2)9-5/h4H,3H2,1-2H3,(H,7,11)
InChIKeyXJRLUVPFQNTRAX-UHFFFAOYSA-N
XLogP-0.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide (CID 59693815) is N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide is CCNC(=O)c1ncn(C)n1.
What is the InChIKey of N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is XJRLUVPFQNTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-7-6(11)5-8-4-10(2)9-5/h4H,3H2,1-2H3,(H,7,11).
What are the key properties of N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide?
N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59693815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).