1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C12H20N6O3 — CID 137253124

IUPAC1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCC(N)C(=O)Nn1nc(C(=O)NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C12H20N6O3/c1-7(13)10(19)17-18-12(21)15-9(16-18)11(20)14-8-5-3-2-4-6-8/h7-8H,2-6,13H2,1H3,(H,14,20)(H,17,19)(H,15,16,21)
InChIKeyOJKCWFAWFUMCDE-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.95
Rot. Bonds4

About 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 137253124) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID137253124
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCC(N)C(=O)Nn1nc(C(=O)NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C12H20N6O3/c1-7(13)10(19)17-18-12(21)15-9(16-18)11(20)14-8-5-3-2-4-6-8/h7-8H,2-6,13H2,1H3,(H,14,20)(H,17,19)(H,15,16,21)
InChIKeyOJKCWFAWFUMCDE-UHFFFAOYSA-N
XLogP-0.95
TPSA134.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 137253124) is 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is CC(N)C(=O)Nn1nc(C(=O)NC2CCCCC2)[nH]c1=O.
What is the InChIKey of 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is OJKCWFAWFUMCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-7(13)10(19)17-18-12(21)15-9(16-18)11(20)14-8-5-3-2-4-6-8/h7-8H,2-6,13H2,1H3,(H,14,20)(H,17,19)(H,15,16,21).
What are the key properties of 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137253124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).