4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol

C10H9ClN4O — CID 136790526

IUPAC4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
SMILESC/C(=N/n1cnnc1)c1cc(Cl)ccc1O
InChIInChI=1S/C10H9ClN4O/c1-7(14-15-5-12-13-6-15)9-4-8(11)2-3-10(9)16/h2-6,16H,1H3/b14-7-
InChIKeyBDVBYDPNVHKPNU-AUWJEWJLSA-N
MW236.66 g/mol
LogP1.91
Rot. Bonds2

About 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol

4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol (PubChem CID 136790526) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
PubChem CID136790526
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
SMILESC/C(=N/n1cnnc1)c1cc(Cl)ccc1O
InChIInChI=1S/C10H9ClN4O/c1-7(14-15-5-12-13-6-15)9-4-8(11)2-3-10(9)16/h2-6,16H,1H3/b14-7-
InChIKeyBDVBYDPNVHKPNU-AUWJEWJLSA-N
XLogP1.91
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol 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

2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
CID 135641165
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
4-chloro-2-[(E)-C-methyl-N-[(3,5,6-trichloro-2-pyridinyl)amino]carbonimidoyl]phenol
CID 135582466
methyl N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]carbamodithioate
CID 135458125
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
2-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824258
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
CID 91500784
3,5,6-trichloro-4-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid
CID 135582492
1-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-prop-2-enylthiourea
CID 135731090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol (CID 136790526) is 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol is C/C(=N/n1cnnc1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The InChIKey is BDVBYDPNVHKPNU-AUWJEWJLSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-7(14-15-5-12-13-6-15)9-4-8(11)2-3-10(9)16/h2-6,16H,1H3/b14-7-.
What are the key properties of 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol has a molecular weight of 236.66 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol is sourced from PubChem (CID 136790526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).