5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide

C11H18N4O2 — CID 107319577

IUPAC5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCCCCO)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4O2/c16-7-3-1-2-6-12-11(17)10-13-9(14-15-10)8-4-5-8/h8,16H,1-7H2,(H,12,17)(H,13,14,15)
InChIKeyRRNSRNWHJMDEJP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds7

About 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107319577) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID107319577
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCCCCO)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4O2/c16-7-3-1-2-6-12-11(17)10-13-9(14-15-10)8-4-5-8/h8,16H,1-7H2,(H,12,17)(H,13,14,15)
InChIKeyRRNSRNWHJMDEJP-UHFFFAOYSA-N
XLogP0.57
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
CID 113494223
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 107854514
N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 80507237
5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106202
5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114117439
1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113310987
1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496294
N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 83235867
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 81177029

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide (CID 107319577) is 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide is O=C(NCCCCCO)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is RRNSRNWHJMDEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-7-3-1-2-6-12-11(17)10-13-9(14-15-10)8-4-5-8/h8,16H,1-7H2,(H,12,17)(H,13,14,15).
What are the key properties of 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107319577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).