N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide

C9H16N4O2 — CID 110899828

IUPACN-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCCCO
InChIInChI=1S/C9H16N4O2/c14-6-2-4-11-9(15)3-1-5-13-8-10-7-12-13/h7-8,14H,1-6H2,(H,11,15)
InChIKeyIOCVUJCCVZWIQE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds7

About N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide

N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 110899828) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID110899828
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCCCO
InChIInChI=1S/C9H16N4O2/c14-6-2-4-11-9(15)3-1-5-13-8-10-7-12-13/h7-8,14H,1-6H2,(H,11,15)
InChIKeyIOCVUJCCVZWIQE-UHFFFAOYSA-N
XLogP-0.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 113364762
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-(2-tert-butylsulfinylethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 167843334
methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91771033
N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113348269
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91778266
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
4-(1,2,4-triazol-1-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 131888980
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131939523

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide (CID 110899828) is N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is IOCVUJCCVZWIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c14-6-2-4-11-9(15)3-1-5-13-8-10-7-12-13/h7-8,14H,1-6H2,(H,11,15).
What are the key properties of N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 110899828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).