6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C12H12ClN5 — CID 3107858

IUPAC6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H12ClN5/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKeyRHMPTNSOZLNNAR-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.87
Rot. Bonds5

About 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3107858) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3107858
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H12ClN5/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKeyRHMPTNSOZLNNAR-UHFFFAOYSA-N
XLogP2.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Anilazine
CID 7541
Chlorazanil
CID 10374
Amanozine
CID 10832
Melarsen oxide
CID 30830
Melarsomine Dihydrochloride
CID 123720
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
Melarsomine
CID 65962
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
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3107858) is 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RHMPTNSOZLNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.72 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3107858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).