4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol

C10H20N4O — CID 106841860

IUPAC4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
SMILESCCCn1ncnc1CNCCCCO
InChIInChI=1S/C10H20N4O/c1-2-6-14-10(12-9-13-14)8-11-5-3-4-7-15/h9,11,15H,2-8H2,1H3
InChIKeyJECWATWWUROZLW-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.55
Rot. Bonds8

About 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol

4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol (PubChem CID 106841860) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
PubChem CID106841860
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
SMILESCCCn1ncnc1CNCCCCO
InChIInChI=1S/C10H20N4O/c1-2-6-14-10(12-9-13-14)8-11-5-3-4-7-15/h9,11,15H,2-8H2,1H3
InChIKeyJECWATWWUROZLW-UHFFFAOYSA-N
XLogP0.55
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.55
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

6-bromo-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 107844546
5-[(2-methyl-1,2,4-triazol-3-yl)methylamino]pentan-1-ol
CID 107317324
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106457410
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 114130530
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
2-[3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propoxy]ethanol
CID 106309909

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol (CID 106841860) is 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol is CCCn1ncnc1CNCCCCO.
What is the InChIKey of 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol?
The InChIKey is JECWATWWUROZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-6-14-10(12-9-13-14)8-11-5-3-4-7-15/h9,11,15H,2-8H2,1H3.
What are the key properties of 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol?
4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106841860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).