1-(1-pentan-2-yltriazol-4-yl)propan-1-ol

C10H19N3O — CID 107886610

IUPAC1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
SMILESCCCC(C)n1cc(C(O)CC)nn1
InChIInChI=1S/C10H19N3O/c1-4-6-8(3)13-7-9(11-12-13)10(14)5-2/h7-8,10,14H,4-6H2,1-3H3
InChIKeyQLIKGSWMTSSCEA-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.08
Rot. Bonds5

About 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol

1-(1-pentan-2-yltriazol-4-yl)propan-1-ol (PubChem CID 107886610) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
PubChem CID107886610
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
SMILESCCCC(C)n1cc(C(O)CC)nn1
InChIInChI=1S/C10H19N3O/c1-4-6-8(3)13-7-9(11-12-13)10(14)5-2/h7-8,10,14H,4-6H2,1-3H3
InChIKeyQLIKGSWMTSSCEA-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pentan-2-yltriazol-4-yl)propan-2-ol
CID 107886607
(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine
CID 130567529
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide
CID 81444584
2-[4-(1-bromoethyl)triazol-1-yl]propan-1-ol
CID 130567121
2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide
CID 106228668
(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
CID 124596958
1-(1-pentan-2-ylpyrazol-4-yl)ethanol
CID 107887185
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
CID 106456465
1-[1-(2,6-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 136572305
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
CID 145288458
2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol
CID 101406679
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol?
The IUPAC name of 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol (CID 107886610) is 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol is CCCC(C)n1cc(C(O)CC)nn1.
What is the InChIKey of 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol?
The InChIKey is QLIKGSWMTSSCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-8(3)13-7-9(11-12-13)10(14)5-2/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol?
1-(1-pentan-2-yltriazol-4-yl)propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-2-yltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 107886610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).