1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine

C13H16N4 — CID 849423

IUPAC1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine
SMILESCC(C)(C)n1cc(/C=N/c2ccccc2)nn1
InChIInChI=1S/C13H16N4/c1-13(2,3)17-10-12(15-16-17)9-14-11-7-5-4-6-8-11/h4-10H,1-3H3/b14-9+
InChIKeyHJPZHFILCLSZEI-NTEUORMPSA-N
MW228.30 g/mol
LogP2.78
Rot. Bonds2

About 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine

1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine (PubChem CID 849423) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine
PubChem CID849423
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine
SMILESCC(C)(C)n1cc(/C=N/c2ccccc2)nn1
InChIInChI=1S/C13H16N4/c1-13(2,3)17-10-12(15-16-17)9-14-11-7-5-4-6-8-11/h4-10H,1-3H3/b14-9+
InChIKeyHJPZHFILCLSZEI-NTEUORMPSA-N
XLogP2.78
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1H-1,2,3-triazole
CID 270009
1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
1-phenyl-1H-1,2,3-triazole-4-carbaldehyde oxime
CID 9559910
(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
1-Benzyl-4-hexyl-triazole
CID 54772019
1-(Cyclohexylmethyl)-4-phenyltriazole
CID 24793749
1-Phenyl-4-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperazine
CID 44412268
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
CID 56949927
[3-(4-Tert-butyltriazol-1-yl)phenyl]boronic acid
CID 168296852
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1,4-Diphenyl-1,2,3-triazole
CID 281057
1-Benzyl-4-octyl-triazole
CID 10423341

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine?
The IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine (CID 849423) is 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine is CC(C)(C)n1cc(/C=N/c2ccccc2)nn1.
What is the InChIKey of 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine?
The InChIKey is HJPZHFILCLSZEI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H16N4/c1-13(2,3)17-10-12(15-16-17)9-14-11-7-5-4-6-8-11/h4-10H,1-3H3/b14-9+.
What are the key properties of 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine?
1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine has a molecular weight of 228.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltriazol-4-yl)-N-phenylmethanimine is sourced from PubChem (CID 849423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).