[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol

C11H21N3O — CID 82208217

IUPAC[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)CCn1nnc(CO)c1C(C)C
InChIInChI=1S/C11H21N3O/c1-8(2)5-6-14-11(9(3)4)10(7-15)12-13-14/h8-9,15H,5-7H2,1-4H3
InChIKeyBKCUJEVXAFSTPI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.94
Rot. Bonds5

About [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol

[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 82208217) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID82208217
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)CCn1nnc(CO)c1C(C)C
InChIInChI=1S/C11H21N3O/c1-8(2)5-6-14-11(9(3)4)10(7-15)12-13-14/h8-9,15H,5-7H2,1-4H3
InChIKeyBKCUJEVXAFSTPI-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol (CID 82208217) is [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol is CC(C)CCn1nnc(CO)c1C(C)C.
What is the InChIKey of [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is BKCUJEVXAFSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)5-6-14-11(9(3)4)10(7-15)12-13-14/h8-9,15H,5-7H2,1-4H3.
What are the key properties of [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol?
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 211.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82208217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).