N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C12H20N4O3 — CID 136782749

IUPACN-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NC(CCO)C1CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c17-7-6-9(8-4-2-1-3-5-8)13-11(18)10-14-12(19)16-15-10/h8-9,17H,1-7H2,(H,13,18)(H2,14,15,16,19)
InChIKeyWIKPDZVNIAKWSL-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.16
Rot. Bonds5

About N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136782749) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136782749
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NC(CCO)C1CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c17-7-6-9(8-4-2-1-3-5-8)13-11(18)10-14-12(19)16-15-10/h8-9,17H,1-7H2,(H,13,18)(H2,14,15,16,19)
InChIKeyWIKPDZVNIAKWSL-UHFFFAOYSA-N
XLogP0.16
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 64911041
6-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65903007
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65925677
6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103703715
6-[[2-(Hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705009
6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103705020
N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007754
N-(1-cyclohexyl-3-hydroxypropyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007758
6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 112753068
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752819
N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794910
N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136819099

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136782749) is N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NC(CCO)C1CCCCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is WIKPDZVNIAKWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c17-7-6-9(8-4-2-1-3-5-8)13-11(18)10-14-12(19)16-15-10/h8-9,17H,1-7H2,(H,13,18)(H2,14,15,16,19).
What are the key properties of N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136782749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).