2-phenyltriazole-4,5-diamine

C8H9N5 — CID 10856000

IUPAC2-phenyltriazole-4,5-diamine
SMILESNc1nn(-c2ccccc2)nc1N
InChIInChI=1S/C8H9N5/c9-7-8(10)12-13(11-7)6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H2,10,12)
InChIKeyMEKVTRJBRWQWTA-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.43
Rot. Bonds1

About 2-phenyltriazole-4,5-diamine

2-phenyltriazole-4,5-diamine (PubChem CID 10856000) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-phenyltriazole-4,5-diamine.

Molecular Properties

Compound Name2-phenyltriazole-4,5-diamine
PubChem CID10856000
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name2-phenyltriazole-4,5-diamine
SMILESNc1nn(-c2ccccc2)nc1N
InChIInChI=1S/C8H9N5/c9-7-8(10)12-13(11-7)6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H2,10,12)
InChIKeyMEKVTRJBRWQWTA-UHFFFAOYSA-N
XLogP0.43
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(phenyldiazenyl)-1H-pyrazole-3,5-diamine
CID 242623
2-phenyl-2H-1,2,3-triazol-4-amine
CID 4421759
2-Phenyl-2,4-dihydro(1,2,3)triazolo(4,5-c)(1,2,6)thiadiazin-7-amine 5,5-dioxide
CID 325860
2-Phenyltetrazole-5-carbonitrile
CID 285117
2-Phenyl-2H-tetrazol-5-amine
CID 323201
5-methyl-2-phenyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 137971716
2-(4-fluorophenyl)-2H-1,2,3-triazol-4-amine hydrochloride
CID 138039681
5-methyl-2-phenyl-2H-1,2,3-triazol-4-amine
CID 12686668
4-Amino-5-nitro-2-phenyl-1,2,3-triazole
CID 15740918
2-Phenyl-5-methyl-tetrazole
CID 21117065
2-(2-azidophenyl)-5-(tert-butyl-NNO-azoxy)-2H-1,2,3-triazol-4-amine
CID 137797311
2H-1,2,3-Triazole-4,5-diamine, 2-(4-fluorophenyl)-
CID 23084923

Frequently Asked Questions

What is the IUPAC name of 2-phenyltriazole-4,5-diamine?
The IUPAC name of 2-phenyltriazole-4,5-diamine (CID 10856000) is 2-phenyltriazole-4,5-diamine.
What is the SMILES notation for 2-phenyltriazole-4,5-diamine?
The canonical SMILES for 2-phenyltriazole-4,5-diamine is Nc1nn(-c2ccccc2)nc1N.
What is the InChIKey of 2-phenyltriazole-4,5-diamine?
The InChIKey is MEKVTRJBRWQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-7-8(10)12-13(11-7)6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H2,10,12).
What are the key properties of 2-phenyltriazole-4,5-diamine?
2-phenyltriazole-4,5-diamine has a molecular weight of 175.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyltriazole-4,5-diamine is sourced from PubChem (CID 10856000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).