[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol

C14H25N3O2 — CID 103167571

IUPAC[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2C(C)(C)C)C1
InChIInChI=1S/C14H25N3O2/c1-5-19-11-6-10(7-11)8-12-15-16-13(9-18)17(12)14(2,3)4/h10-11,18H,5-9H2,1-4H3
InChIKeyNPPIZBIIIDDTPR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.88
Rot. Bonds5

About [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol

[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103167571) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103167571
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2C(C)(C)C)C1
InChIInChI=1S/C14H25N3O2/c1-5-19-11-6-10(7-11)8-12-15-16-13(9-18)17(12)14(2,3)4/h10-11,18H,5-9H2,1-4H3
InChIKeyNPPIZBIIIDDTPR-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Tert-butyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995598
[5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167566
[4-Cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167569
[4-Tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazol-3-yl]methanol
CID 103167572
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167573
[5-[(3-Ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167576
[5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103167578
4-Tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
CID 103167589
3-(Bromomethyl)-4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
CID 103167618
[5-[(1-Methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103558662
[4-Tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103558663
[4-Ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103558664

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 103167571) is [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is CCOC1CC(Cc2nnc(CO)n2C(C)(C)C)C1.
What is the InChIKey of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is NPPIZBIIIDDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-19-11-6-10(7-11)8-12-15-16-13(9-18)17(12)14(2,3)4/h10-11,18H,5-9H2,1-4H3.
What are the key properties of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).