1-(1-pentyltriazol-4-yl)ethanol

C9H17N3O — CID 81444188

IUPAC1-(1-pentyltriazol-4-yl)ethanol
SMILESCCCCCn1cc(C(C)O)nn1
InChIInChI=1S/C9H17N3O/c1-3-4-5-6-12-7-9(8(2)13)10-11-12/h7-8,13H,3-6H2,1-2H3
InChIKeyUDWMCRNHQDHVLC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.52
Rot. Bonds5

About 1-(1-pentyltriazol-4-yl)ethanol

1-(1-pentyltriazol-4-yl)ethanol (PubChem CID 81444188) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-pentyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-pentyltriazol-4-yl)ethanol
PubChem CID81444188
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(1-pentyltriazol-4-yl)ethanol
SMILESCCCCCn1cc(C(C)O)nn1
InChIInChI=1S/C9H17N3O/c1-3-4-5-6-12-7-9(8(2)13)10-11-12/h7-8,13H,3-6H2,1-2H3
InChIKeyUDWMCRNHQDHVLC-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
1-hexyl-4-(3-methylbutan-2-yl)triazole
CID 135219454
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
4-(1-bromopropyl)-1-nonyltriazole
CID 113482865
N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742430
1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol
CID 81445118
3-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 81445214
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
CID 145288458
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
CID 106456459
ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
CID 170610061
(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol
CID 130567367
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentyltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-pentyltriazol-4-yl)ethanol (CID 81444188) is 1-(1-pentyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-pentyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-pentyltriazol-4-yl)ethanol is CCCCCn1cc(C(C)O)nn1.
What is the InChIKey of 1-(1-pentyltriazol-4-yl)ethanol?
The InChIKey is UDWMCRNHQDHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-5-6-12-7-9(8(2)13)10-11-12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 1-(1-pentyltriazol-4-yl)ethanol?
1-(1-pentyltriazol-4-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentyltriazol-4-yl)ethanol is sourced from PubChem (CID 81444188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).