ethane;1-methyl-1,2,4-triazole-3-carboxamide

C6H12N4O — CID 143420931

IUPACethane;1-methyl-1,2,4-triazole-3-carboxamide
SMILESCC.Cn1cnc(C(N)=O)n1
InChIInChI=1S/C4H6N4O.C2H6/c1-8-2-6-4(7-8)3(5)9;1-2/h2H,1H3,(H2,5,9);1-2H3
InChIKeyNMDIPDQBCDGWLD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds1

About ethane;1-methyl-1,2,4-triazole-3-carboxamide

ethane;1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 143420931) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is ethane;1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID143420931
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Nameethane;1-methyl-1,2,4-triazole-3-carboxamide
SMILESCC.Cn1cnc(C(N)=O)n1
InChIInChI=1S/C4H6N4O.C2H6/c1-8-2-6-4(7-8)3(5)9;1-2/h2H,1H3,(H2,5,9);1-2H3
InChIKeyNMDIPDQBCDGWLD-UHFFFAOYSA-N
XLogP-0.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of ethane;1-methyl-1,2,4-triazole-3-carboxamide (CID 143420931) is ethane;1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for ethane;1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for ethane;1-methyl-1,2,4-triazole-3-carboxamide is CC.Cn1cnc(C(N)=O)n1.
What is the InChIKey of ethane;1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NMDIPDQBCDGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C2H6/c1-8-2-6-4(7-8)3(5)9;1-2/h2H,1H3,(H2,5,9);1-2H3.
What are the key properties of ethane;1-methyl-1,2,4-triazole-3-carboxamide?
ethane;1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 143420931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).