3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine

C11H11ClN4 — CID 114999612

IUPAC3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cc(C)cc(Nc2cnnc(Cl)n2)c1
InChIInChI=1S/C11H11ClN4/c1-7-3-8(2)5-9(4-7)14-10-6-13-16-11(12)15-10/h3-6H,1-2H3,(H,14,15,16)
InChIKeyCZUATEZZYUGTMX-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.89
Rot. Bonds2

About 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine

3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine (PubChem CID 114999612) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
PubChem CID114999612
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cc(C)cc(Nc2cnnc(Cl)n2)c1
InChIInChI=1S/C11H11ClN4/c1-7-3-8(2)5-9(4-7)14-10-6-13-16-11(12)15-10/h3-6H,1-2H3,(H,14,15,16)
InChIKeyCZUATEZZYUGTMX-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959034
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487
5-N-(3-chloro-4-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963577
3-N-[(4-chlorophenyl)methyl]-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950656
3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 81035859
3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 115001203
3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 114999025
5-N-(3-chloro-4-methoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963579
5-N-(2,5-dichlorophenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963627
5-N-(5-chloro-2-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963575
3-N-(4-tert-butylphenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963483
3-N-(2,5-dimethylphenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963213

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine (CID 114999612) is 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine is Cc1cc(C)cc(Nc2cnnc(Cl)n2)c1.
What is the InChIKey of 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is CZUATEZZYUGTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-7-3-8(2)5-9(4-7)14-10-6-13-16-11(12)15-10/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 234.69 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 114999612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).