3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine

C8H7Cl2N5 — CID 72714614

IUPAC3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C8H7Cl2N5/c9-4-1-5(10)3-6(2-4)12-8-13-7(11)14-15-8/h1-3H,(H4,11,12,13,14,15)
InChIKeyKAAPUKIJYXDSJG-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.44
Rot. Bonds2

About 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 72714614) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID72714614
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C8H7Cl2N5/c9-4-1-5(10)3-6(2-4)12-8-13-7(11)14-15-8/h1-3H,(H4,11,12,13,14,15)
InChIKeyKAAPUKIJYXDSJG-UHFFFAOYSA-N
XLogP2.44
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine (CID 72714614) is 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2cc(Cl)cc(Cl)c2)n[nH]1.
What is the InChIKey of 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is KAAPUKIJYXDSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c9-4-1-5(10)3-6(2-4)12-8-13-7(11)14-15-8/h1-3H,(H4,11,12,13,14,15).
What are the key properties of 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 244.09 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 72714614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).