5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine

C13H17ClN4 — CID 106860889

IUPAC5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(C)cc2Cl)n1CC
InChIInChI=1S/C13H17ClN4/c1-4-15-13-17-16-12(18(13)5-2)10-7-6-9(3)8-11(10)14/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyABQAMCYZKXMIJY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.36
Rot. Bonds4

About 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 106860889) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID106860889
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(C)cc2Cl)n1CC
InChIInChI=1S/C13H17ClN4/c1-4-15-13-17-16-12(18(13)5-2)10-7-6-9(3)8-11(10)14/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyABQAMCYZKXMIJY-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597405
5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577
5-(5-chloro-2-methoxyphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596709
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483
2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136926768
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
5-[2-amino-4-(trifluoromethyl)phenyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 115945516
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 106860889) is 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(-c2ccc(C)cc2Cl)n1CC.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is ABQAMCYZKXMIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-4-15-13-17-16-12(18(13)5-2)10-7-6-9(3)8-11(10)14/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 264.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 106860889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).