3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine

C14H14N6 — CID 3818607

IUPAC3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine
SMILESNc1ccccc1-c1nnc(-c2ccccc2N)n1N
InChIInChI=1S/C14H14N6/c15-11-7-3-1-5-9(11)13-18-19-14(20(13)17)10-6-2-4-8-12(10)16/h1-8H,15-17H2
InChIKeyNUDMJBMSVRCFAY-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.49
Rot. Bonds2

About 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine

3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine (PubChem CID 3818607) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine
PubChem CID3818607
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine
SMILESNc1ccccc1-c1nnc(-c2ccccc2N)n1N
InChIInChI=1S/C14H14N6/c15-11-7-3-1-5-9(11)13-18-19-14(20(13)17)10-6-2-4-8-12(10)16/h1-8H,15-17H2
InChIKeyNUDMJBMSVRCFAY-UHFFFAOYSA-N
XLogP1.49
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117158565
2-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 117158567
2-(2-aminophenyl)benzene-1,3-diamine
CID 22068804
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352223
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169
3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117158652
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820
2-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 55175336
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117158718
2-[1-(2,4,6-trichlorophenyl)tetrazol-5-yl]aniline
CID 61352823

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine (CID 3818607) is 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine is Nc1ccccc1-c1nnc(-c2ccccc2N)n1N.
What is the InChIKey of 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine?
The InChIKey is NUDMJBMSVRCFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-11-7-3-1-5-9(11)13-18-19-14(20(13)17)10-6-2-4-8-12(10)16/h1-8H,15-17H2.
What are the key properties of 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine?
3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine has a molecular weight of 266.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 3818607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).