4-propan-2-yl-1,2,4-triazole-3-carboxamide

C6H10N4O — CID 140621561

IUPAC4-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)n1cnnc1C(N)=O
InChIInChI=1S/C6H10N4O/c1-4(2)10-3-8-9-6(10)5(7)11/h3-4H,1-2H3,(H2,7,11)
InChIKeyTXMYYXLVEPLQJJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.04
Rot. Bonds2

About 4-propan-2-yl-1,2,4-triazole-3-carboxamide

4-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 140621561) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID140621561
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)n1cnnc1C(N)=O
InChIInChI=1S/C6H10N4O/c1-4(2)10-3-8-9-6(10)5(7)11/h3-4H,1-2H3,(H2,7,11)
InChIKeyTXMYYXLVEPLQJJ-UHFFFAOYSA-N
XLogP-0.04
TPSA73.80 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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 140621561) is 4-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-propan-2-yl-1,2,4-triazole-3-carboxamide is CC(C)n1cnnc1C(N)=O.
What is the InChIKey of 4-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is TXMYYXLVEPLQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4(2)10-3-8-9-6(10)5(7)11/h3-4H,1-2H3,(H2,7,11).
What are the key properties of 4-propan-2-yl-1,2,4-triazole-3-carboxamide?
4-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 140621561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).