(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol

C10H17N3O — CID 115396350

IUPAC(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)(C)c1nnc(CO)n1C1CC1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9-12-11-8(6-14)13(9)7-4-5-7/h7,14H,4-6H2,1-3H3
InChIKeyGBAFWDJUKMZNOT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.40
Rot. Bonds2

About (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol

(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol (PubChem CID 115396350) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol
PubChem CID115396350
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)(C)c1nnc(CO)n1C1CC1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9-12-11-8(6-14)13(9)7-4-5-7/h7,14H,4-6H2,1-3H3
InChIKeyGBAFWDJUKMZNOT-UHFFFAOYSA-N
XLogP1.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol (CID 115396350) is (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol is CC(C)(C)c1nnc(CO)n1C1CC1.
What is the InChIKey of (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is GBAFWDJUKMZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)9-12-11-8(6-14)13(9)7-4-5-7/h7,14H,4-6H2,1-3H3.
What are the key properties of (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol?
(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 195.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 115396350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).