(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C14H18N4O — CID 112537966

IUPAC(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCCCCOc1ccc(/C=N\n2cnnc2)cc1
InChIInChI=1S/C14H18N4O/c1-2-3-4-9-19-14-7-5-13(6-8-14)10-17-18-11-15-16-12-18/h5-8,10-12H,2-4,9H2,1H3/b17-10-
InChIKeyDUJUKHNRMMXONU-YVLHZVERSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds7

About (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 112537966) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID112537966
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCCCCOc1ccc(/C=N\n2cnnc2)cc1
InChIInChI=1S/C14H18N4O/c1-2-3-4-9-19-14-7-5-13(6-8-14)10-17-18-11-15-16-12-18/h5-8,10-12H,2-4,9H2,1H3/b17-10-
InChIKeyDUJUKHNRMMXONU-YVLHZVERSA-N
XLogP2.73
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine 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-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-tetradecoxybenzoate
CID 177387714
(E)-1-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349484
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
4-[(Z)-(4-pentoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295347
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
(E)-1-[4-[(4-tert-butylphenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339842
1-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2286093
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
[3-hydroxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-heptoxybenzoate
CID 177478269
(E)-1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339660
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 112537966) is (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is CCCCCOc1ccc(/C=N\n2cnnc2)cc1.
What is the InChIKey of (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is DUJUKHNRMMXONU-YVLHZVERSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-4-9-19-14-7-5-13(6-8-14)10-17-18-11-15-16-12-18/h5-8,10-12H,2-4,9H2,1H3/b17-10-.
What are the key properties of (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 258.32 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 112537966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).