6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine

C12H13ClN4O — CID 116823608

IUPAC6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1-c1ccc(OC)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-7-15-12(14-2)11(17-16-7)9-5-4-8(18-3)6-10(9)13/h4-6H,1-3H3,(H,14,15,16)
InChIKeyBVDVXYBVAHROKV-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.55
Rot. Bonds3

About 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine

6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (PubChem CID 116823608) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
PubChem CID116823608
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1-c1ccc(OC)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-7-15-12(14-2)11(17-16-7)9-5-4-8(18-3)6-10(9)13/h4-6H,1-3H3,(H,14,15,16)
InChIKeyBVDVXYBVAHROKV-UHFFFAOYSA-N
XLogP2.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
CID 102753823
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832520
5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine
CID 58804456
[2-(2-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887813
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine
CID 113324935
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
2-chloro-4-methoxy-1-methylbenzene
CID 6951757

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (CID 116823608) is 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is CNc1nc(C)nnc1-c1ccc(OC)cc1Cl.
What is the InChIKey of 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The InChIKey is BVDVXYBVAHROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-15-12(14-2)11(17-16-7)9-5-4-8(18-3)6-10(9)13/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine has a molecular weight of 264.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).