4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide

C17H21N7O — CID 10088567

IUPAC4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/N(CCCO)c2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C17H21N7O/c18-16(19)12-2-6-14(7-3-12)22-23-24(10-1-11-25)15-8-4-13(5-9-15)17(20)21/h2-9,25H,1,10-11H2,(H3,18,19)(H3,20,21)/b23-22+
InChIKeyBMKBLIGHAJSQNA-GHVJWSGMSA-N
MW339.40 g/mol
LogP2.14
Rot. Bonds8

About 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide

4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide (PubChem CID 10088567) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide
PubChem CID10088567
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/N(CCCO)c2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C17H21N7O/c18-16(19)12-2-6-14(7-3-12)22-23-24(10-1-11-25)15-8-4-13(5-9-15)17(20)21/h2-9,25H,1,10-11H2,(H3,18,19)(H3,20,21)/b23-22+
InChIKeyBMKBLIGHAJSQNA-GHVJWSGMSA-N
XLogP2.14
TPSA147.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide 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-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride
CID 6431834
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-(3-hydroxypropylsulfanylmethyl)benzenecarboximidamide
CID 66113210
4-[[4-[(4,6-dichloro-5-cyanopyrimidin-2-yl)-methylamino]phenyl]diazenyl]benzenecarboximidamide
CID 19850685
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide
CID 129190559
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154

Frequently Asked Questions

What is the IUPAC name of 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide?
The IUPAC name of 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide (CID 10088567) is 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide?
The canonical SMILES for 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=N/N(CCCO)c2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide?
The InChIKey is BMKBLIGHAJSQNA-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H21N7O/c18-16(19)12-2-6-14(7-3-12)22-23-24(10-1-11-25)15-8-4-13(5-9-15)17(20)21/h2-9,25H,1,10-11H2,(H3,18,19)(H3,20,21)/b23-22+.
What are the key properties of 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide?
4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide has a molecular weight of 339.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide is sourced from PubChem (CID 10088567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).