N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O2 — CID 115735088

IUPACN-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CCO)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O2/c1-2-9(4-6-15)13-10(16)3-5-14-8-11-7-12-14/h7-9,15H,2-6H2,1H3,(H,13,16)
InChIKeyUTBSYZYCHNSUFY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds7

About N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 115735088) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID115735088
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CCO)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O2/c1-2-9(4-6-15)13-10(16)3-5-14-8-11-7-12-14/h7-9,15H,2-6H2,1H3,(H,13,16)
InChIKeyUTBSYZYCHNSUFY-UHFFFAOYSA-N
XLogP-0.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103799249
2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43469556
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 99628577
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
2-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 65218713
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94094184
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113258923

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 115735088) is N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide is CCC(CCO)NC(=O)CCn1cncn1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UTBSYZYCHNSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-9(4-6-15)13-10(16)3-5-14-8-11-7-12-14/h7-9,15H,2-6H2,1H3,(H,13,16).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 115735088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).