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

C8H7ClN4 — CID 2766468

IUPACN-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
SMILESClc1ccc(Nc2ncn[nH]2)cc1
InChIInChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)12-8-10-5-11-13-8/h1-5H,(H2,10,11,12,13)
InChIKeyQNEULGGZGQPUGR-UHFFFAOYSA-N
MW194.63 g/mol
LogP2.20
Rot. Bonds2

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

N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (PubChem CID 2766468) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
PubChem CID2766468
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC NameN-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
SMILESClc1ccc(Nc2ncn[nH]2)cc1
InChIInChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)12-8-10-5-11-13-8/h1-5H,(H2,10,11,12,13)
InChIKeyQNEULGGZGQPUGR-UHFFFAOYSA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorazanil
CID 10374
N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 76819
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
N-(4-chlorophenyl)-5-[(3-methylbut-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757345
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-(2,4-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
5-[4-(4-chlorophenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485882
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CID 2766468) is N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is Clc1ccc(Nc2ncn[nH]2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is QNEULGGZGQPUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)12-8-10-5-11-13-8/h1-5H,(H2,10,11,12,13).
What are the key properties of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 194.63 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 2766468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).