3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol

C10H19N3O — CID 82208862

IUPAC3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol
SMILESCc1c(CCCO)nnn1CC(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)7-13-9(3)10(11-12-13)5-4-6-14/h8,14H,4-7H2,1-3H3
InChIKeyBGIZEDNBSGJHQJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.17
Rot. Bonds5

About 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol

3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol (PubChem CID 82208862) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol
PubChem CID82208862
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol
SMILESCc1c(CCCO)nnn1CC(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)7-13-9(3)10(11-12-13)5-4-6-14/h8,14H,4-7H2,1-3H3
InChIKeyBGIZEDNBSGJHQJ-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol (CID 82208862) is 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol is Cc1c(CCCO)nnn1CC(C)C.
What is the InChIKey of 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol?
The InChIKey is BGIZEDNBSGJHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)7-13-9(3)10(11-12-13)5-4-6-14/h8,14H,4-7H2,1-3H3.
What are the key properties of 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol?
3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 82208862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).