(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol

C10H19N3O — CID 82206812

IUPAC(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol
SMILESCC(C)n1nnc(CO)c1C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)13-9(10(3,4)5)8(6-14)11-12-13/h7,14H,6H2,1-5H3
InChIKeyRJRRTSBIQSMINW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.65
Rot. Bonds2

About (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol

(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol (PubChem CID 82206812) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol
PubChem CID82206812
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol
SMILESCC(C)n1nnc(CO)c1C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)13-9(10(3,4)5)8(6-14)11-12-13/h7,14H,6H2,1-5H3
InChIKeyRJRRTSBIQSMINW-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol?
The IUPAC name of (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol (CID 82206812) is (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol.
What is the SMILES notation for (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol?
The canonical SMILES for (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol is CC(C)n1nnc(CO)c1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol?
The InChIKey is RJRRTSBIQSMINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)13-9(10(3,4)5)8(6-14)11-12-13/h7,14H,6H2,1-5H3.
What are the key properties of (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol?
(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol is sourced from PubChem (CID 82206812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).