1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol

C10H19N3O — CID 130383221

IUPAC1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol
SMILESCCC(O)n1cc(CCC(C)C)nn1
InChIInChI=1S/C10H19N3O/c1-4-10(14)13-7-9(11-12-13)6-5-8(2)3/h7-8,10,14H,4-6H2,1-3H3
InChIKeyAMUMGPOIUSJNOW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds5

About 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol

1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol (PubChem CID 130383221) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol
PubChem CID130383221
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol
SMILESCCC(O)n1cc(CCC(C)C)nn1
InChIInChI=1S/C10H19N3O/c1-4-10(14)13-7-9(11-12-13)6-5-8(2)3/h7-8,10,14H,4-6H2,1-3H3
InChIKeyAMUMGPOIUSJNOW-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol (CID 130383221) is 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol is CCC(O)n1cc(CCC(C)C)nn1.
What is the InChIKey of 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol?
The InChIKey is AMUMGPOIUSJNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-10(14)13-7-9(11-12-13)6-5-8(2)3/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol?
1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 130383221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).