3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide

C8H14N4O2 — CID 14349663

IUPAC3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
SMILESCc1nn(C(=O)NC(C)C)c(=O)n1C
InChIInChI=1S/C8H14N4O2/c1-5(2)9-7(13)12-8(14)11(4)6(3)10-12/h5H,1-4H3,(H,9,13)
InChIKeyAKBRQVZMJMLJBZ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.14
Rot. Bonds1

About 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide

3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide (PubChem CID 14349663) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
PubChem CID14349663
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
SMILESCc1nn(C(=O)NC(C)C)c(=O)n1C
InChIInChI=1S/C8H14N4O2/c1-5(2)9-7(13)12-8(14)11(4)6(3)10-12/h5H,1-4H3,(H,9,13)
InChIKeyAKBRQVZMJMLJBZ-UHFFFAOYSA-N
XLogP-0.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide (CID 14349663) is 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide is Cc1nn(C(=O)NC(C)C)c(=O)n1C.
What is the InChIKey of 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
The InChIKey is AKBRQVZMJMLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)9-7(13)12-8(14)11(4)6(3)10-12/h5H,1-4H3,(H,9,13).
What are the key properties of 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14349663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).