[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea

C20H17ClN10O3 — CID 172965313

IUPAC[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea
SMILESNC(=O)/N=N/c1c(O)n(Cc2cn(-c3ccccc3/C=N\NC(N)=O)nn2)c2ccc(Cl)cc12
InChIInChI=1S/C20H17ClN10O3/c21-12-5-6-16-14(7-12)17(26-28-20(23)34)18(32)30(16)9-13-10-31(29-25-13)15-4-2-1-3-11(15)8-24-27-19(22)33/h1-8,10,32H,9H2,(H2,23,34)(H3,22,27,33)/b24-8-,28-26+
InChIKeyIKBPYEHOHJPEKM-KPINFZPBSA-N
MW480.88 g/mol
LogP2.79
Rot. Bonds6

About [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea

[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea (PubChem CID 172965313) has the molecular formula C20H17ClN10O3 and a molecular weight of 480.88 g/mol. Its IUPAC name is [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea
PubChem CID172965313
Molecular FormulaC20H17ClN10O3
Molecular Weight480.88 g/mol
Exact Mass480.12
IUPAC Name[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea
SMILESNC(=O)/N=N/c1c(O)n(Cc2cn(-c3ccccc3/C=N\NC(N)=O)nn2)c2ccc(Cl)cc12
InChIInChI=1S/C20H17ClN10O3/c21-12-5-6-16-14(7-12)17(26-28-20(23)34)18(32)30(16)9-13-10-31(29-25-13)15-4-2-1-3-11(15)8-24-27-19(22)33/h1-8,10,32H,9H2,(H2,23,34)(H3,22,27,33)/b24-8-,28-26+
InChIKeyIKBPYEHOHJPEKM-KPINFZPBSA-N
XLogP2.79
TPSA191.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea 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-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 137224526
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
CID 135537733
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
3-[3-[(1-benzyl-5-chloro-2-hydroxyindol-3-yl)diazenyl]-2-hydroxyphenyl]benzoic acid
CID 135424907
[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3801394
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
CID 136505223
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea (CID 172965313) is [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea is NC(=O)/N=N/c1c(O)n(Cc2cn(-c3ccccc3/C=N\NC(N)=O)nn2)c2ccc(Cl)cc12.
What is the InChIKey of [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea?
The InChIKey is IKBPYEHOHJPEKM-KPINFZPBSA-N. The full InChI is InChI=1S/C20H17ClN10O3/c21-12-5-6-16-14(7-12)17(26-28-20(23)34)18(32)30(16)9-13-10-31(29-25-13)15-4-2-1-3-11(15)8-24-27-19(22)33/h1-8,10,32H,9H2,(H2,23,34)(H3,22,27,33)/b24-8-,28-26+.
What are the key properties of [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea?
[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea has a molecular weight of 480.88 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea is sourced from PubChem (CID 172965313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).