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

C13H23N3O2 — CID 103558663

IUPAC[4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCOC1(Cc2nnc(CO)n2C(C)(C)C)CCC1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)16-10(14-15-11(16)9-17)8-13(18-4)6-5-7-13/h17H,5-9H2,1-4H3
InChIKeyAQZWDMCKFJGBOH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.64
Rot. Bonds4

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

[4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103558663) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103558663
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCOC1(Cc2nnc(CO)n2C(C)(C)C)CCC1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)16-10(14-15-11(16)9-17)8-13(18-4)6-5-7-13/h17H,5-9H2,1-4H3
InChIKeyAQZWDMCKFJGBOH-UHFFFAOYSA-N
XLogP1.64
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-tert-butyl-5-[(1-methoxycyclobutyl)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-(2-Methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103022865
[4-Tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103022869
[4-Tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103022870
[4-Ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103022871
[5-(2-Methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103022873
[5-(2-Methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103022875
[5-(Cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167567
[5-(Cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103167568
[4-Tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167571
[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

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 103558663) is [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is COC1(Cc2nnc(CO)n2C(C)(C)C)CCC1.
What is the InChIKey of [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is AQZWDMCKFJGBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12(2,3)16-10(14-15-11(16)9-17)8-13(18-4)6-5-7-13/h17H,5-9H2,1-4H3.
What are the key properties of [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 253.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103558663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).