4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide

C16H15N7O — CID 44628068

IUPAC4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cn(-c3ccc(/C(N)=N/[H])cc3O)nn2)cc1
InChIInChI=1S/C16H15N7O/c17-15(18)10-3-1-9(2-4-10)12-8-23(22-21-12)13-6-5-11(16(19)20)7-14(13)24/h1-8,24H,(H3,17,18)(H3,19,20)
InChIKeyZSNQNUFRMWUZLU-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.21
Rot. Bonds4

About 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide

4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide (PubChem CID 44628068) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide
PubChem CID44628068
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cn(-c3ccc(/C(N)=N/[H])cc3O)nn2)cc1
InChIInChI=1S/C16H15N7O/c17-15(18)10-3-1-9(2-4-10)12-8-23(22-21-12)13-6-5-11(16(19)20)7-14(13)24/h1-8,24H,(H3,17,18)(H3,19,20)
InChIKeyZSNQNUFRMWUZLU-UHFFFAOYSA-N
XLogP1.21
TPSA150.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-cyanophenyl)triazol-1-yl]-3-hydroxybenzonitrile
CID 44626716
4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide
CID 90124246
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
CID 59836613
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
acetic acid;4-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 69254410
4-methyl-3-[4-(4-methylphenyl)triazol-1-yl]benzoic acid
CID 82369930
4-(1-naphthalen-1-yltriazol-4-yl)phenol
CID 52947273
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
CID 135923501
4-[1-(2,3-dimethylphenyl)triazol-4-yl]benzoic acid
CID 82367376
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
1-(4-bromo-2-methylphenyl)-4-(4-bromophenyl)triazole
CID 170665250

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide (CID 44628068) is 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cn(-c3ccc(/C(N)=N/[H])cc3O)nn2)cc1.
What is the InChIKey of 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide?
The InChIKey is ZSNQNUFRMWUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c17-15(18)10-3-1-9(2-4-10)12-8-23(22-21-12)13-6-5-11(16(19)20)7-14(13)24/h1-8,24H,(H3,17,18)(H3,19,20).
What are the key properties of 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide?
4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide has a molecular weight of 321.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide is sourced from PubChem (CID 44628068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).