5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide

C10H16N4O4 — CID 107854514

IUPAC5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C10H16N4O4/c15-3-10(4-16,5-17)12-9(18)8-11-7(13-14-8)6-1-2-6/h6,15-17H,1-5H2,(H,12,18)(H,11,13,14)
InChIKeyFIAVWNBCGLWMLH-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.87
Rot. Bonds6

About 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107854514) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID107854514
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C10H16N4O4/c15-3-10(4-16,5-17)12-9(18)8-11-7(13-14-8)6-1-2-6/h6,15-17H,1-5H2,(H,12,18)(H,11,13,14)
InChIKeyFIAVWNBCGLWMLH-UHFFFAOYSA-N
XLogP-1.87
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113310987
N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 83235867
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 131449897
5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114117439
5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
CID 113494223
5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 106197453
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 81177029
5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 106261497
5-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 107390227
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107225213

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide (CID 107854514) is 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide is O=C(NC(CO)(CO)CO)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is FIAVWNBCGLWMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c15-3-10(4-16,5-17)12-9(18)8-11-7(13-14-8)6-1-2-6/h6,15-17H,1-5H2,(H,12,18)(H,11,13,14).
What are the key properties of 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of -1.87, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107854514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).