1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol

C14H19N3O — CID 114690545

IUPAC1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
SMILESCCCn1nncc1CCC(O)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-10-17-13(11-15-16-17)8-9-14(18)12-6-4-3-5-7-12/h3-7,11,14,18H,2,8-10H2,1H3
InChIKeyNFCISHLJWACLGL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds6

About 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol

1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol (PubChem CID 114690545) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
PubChem CID114690545
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
SMILESCCCn1nncc1CCC(O)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-10-17-13(11-15-16-17)8-9-14(18)12-6-4-3-5-7-12/h3-7,11,14,18H,2,8-10H2,1H3
InChIKeyNFCISHLJWACLGL-UHFFFAOYSA-N
XLogP2.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
CID 114222733
1-(3-propyltriazol-4-yl)pentan-3-amine
CID 114690321
4-(3-propyltriazol-4-yl)butan-2-amine
CID 114690307
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690382
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518
N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690387
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
1-(3-phenyltriazol-4-yl)pentan-3-ol
CID 114690535
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
(1S)-1-phenylpentan-1-ol
CID 6992754
1,5-bis(3-methylbutyl)triazole
CID 122630242
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol?
The IUPAC name of 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol (CID 114690545) is 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol is CCCn1nncc1CCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol?
The InChIKey is NFCISHLJWACLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-10-17-13(11-15-16-17)8-9-14(18)12-6-4-3-5-7-12/h3-7,11,14,18H,2,8-10H2,1H3.
What are the key properties of 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol?
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 114690545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).