6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C15H12ClN5 — CID 16088

IUPAC6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESClc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21)
InChIKeyAHBSUJXKRKWNBN-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.01
Rot. Bonds4

About 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 16088) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID16088
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESClc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21)
InChIKeyAHBSUJXKRKWNBN-UHFFFAOYSA-N
XLogP4.01
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Anilazine
CID 7541
Amanozine
CID 10832
Melarsen oxide
CID 30830
1,2,3-Triphenylguanidine
CID 7539
Diphenylguanidine hydrochloride
CID 520104
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 934986
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 16088) is 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is Clc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AHBSUJXKRKWNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 16088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).