N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine

C8H6Cl2N4 — CID 2766488

IUPACN-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine
SMILESClc1cc(Cl)cc(Nc2ncn[nH]2)c1
InChIInChI=1S/C8H6Cl2N4/c9-5-1-6(10)3-7(2-5)13-8-11-4-12-14-8/h1-4H,(H2,11,12,13,14)
InChIKeyRQLPFLQMVKGPGU-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.86
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine

N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine (PubChem CID 2766488) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine
PubChem CID2766488
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC NameN-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine
SMILESClc1cc(Cl)cc(Nc2ncn[nH]2)c1
InChIInChI=1S/C8H6Cl2N4/c9-5-1-6(10)3-7(2-5)13-8-11-4-12-14-8/h1-4H,(H2,11,12,13,14)
InChIKeyRQLPFLQMVKGPGU-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
CID 2730436
1-(3,4-dichlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 816658
1-(2,5-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 2797460
1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 328377
1-(2,3-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 970018
1-(2,4-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17280624
1-(2,5-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819493
N-(2,4-dichlorophenyl)-1H-1,2,4-triazol-5-amine
CID 2766472
1-(2-Chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 18807511
N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 720561
1-(2,4-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 2392338
1-(4-Chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 816655

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine (CID 2766488) is N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine is Clc1cc(Cl)cc(Nc2ncn[nH]2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is RQLPFLQMVKGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-5-1-6(10)3-7(2-5)13-8-11-4-12-14-8/h1-4H,(H2,11,12,13,14).
What are the key properties of N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine?
N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 229.07 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 2766488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).