N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine

C14H18ClN5 — CID 6411703

IUPACN-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nnc(-c2ccc(Cl)cc2)nc1NCCN(C)C
InChIInChI=1S/C14H18ClN5/c1-10-13(16-8-9-20(2)3)17-14(19-18-10)11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,17,19)
InChIKeyMWZKPVQXRWDXOD-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 6411703) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID6411703
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nnc(-c2ccc(Cl)cc2)nc1NCCN(C)C
InChIInChI=1S/C14H18ClN5/c1-10-13(16-8-9-20(2)3)17-14(19-18-10)11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,17,19)
InChIKeyMWZKPVQXRWDXOD-UHFFFAOYSA-N
XLogP2.47
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine (CID 6411703) is N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine is Cc1nnc(-c2ccc(Cl)cc2)nc1NCCN(C)C.
What is the InChIKey of N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MWZKPVQXRWDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-10-13(16-8-9-20(2)3)17-14(19-18-10)11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,17,19).
What are the key properties of N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 291.79 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 6411703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).