2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

C9H8ClN5 — CID 10374

💊View drug profile → chlorazanil
IUPAC2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyYRZQHIVOIFJEEE-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.85
Rot. Bonds2

About 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10374) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10374
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyYRZQHIVOIFJEEE-UHFFFAOYSA-N
XLogP1.85
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Anilazine
CID 7541
Amanozine
CID 10832
N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 2730248
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2737693
6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N2-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2729981
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
Chlorazanil Hydrochloride
CID 23616906
4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 16763
N-(3,4-Dichloro-phenyl)-N',N',N'',N''-tetramethyl-[1,3,5]triazine-2,4,6-triamine
CID 766777
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 10374) is 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YRZQHIVOIFJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15).
What are the key properties of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 221.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).