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

C6H12N4O — CID 143899588

IUPACethane;2-methyl-1,2,4-triazole-3-carboxamide
SMILESCC.Cn1ncnc1C(N)=O
InChIInChI=1S/C4H6N4O.C2H6/c1-8-4(3(5)9)6-2-7-8;1-2/h2H,1H3,(H2,5,9);1-2H3
InChIKeyMKIPRCUHQDVBQP-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds1

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

ethane;2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 143899588) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is ethane;2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Nameethane;2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID143899588
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Nameethane;2-methyl-1,2,4-triazole-3-carboxamide
SMILESCC.Cn1ncnc1C(N)=O
InChIInChI=1S/C4H6N4O.C2H6/c1-8-4(3(5)9)6-2-7-8;1-2/h2H,1H3,(H2,5,9);1-2H3
InChIKeyMKIPRCUHQDVBQP-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;2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of ethane;2-methyl-1,2,4-triazole-3-carboxamide (CID 143899588) is ethane;2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for ethane;2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for ethane;2-methyl-1,2,4-triazole-3-carboxamide is CC.Cn1ncnc1C(N)=O.
What is the InChIKey of ethane;2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MKIPRCUHQDVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C2H6/c1-8-4(3(5)9)6-2-7-8;1-2/h2H,1H3,(H2,5,9);1-2H3.
What are the key properties of ethane;2-methyl-1,2,4-triazole-3-carboxamide?
ethane;2-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;2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 143899588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).