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

C10H9ClN4O — CID 115001203

IUPAC3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
SMILESCOc1cccc(Nc2cnnc(Cl)n2)c1
InChIInChI=1S/C10H9ClN4O/c1-16-8-4-2-3-7(5-8)13-9-6-12-15-10(11)14-9/h2-6H,1H3,(H,13,14,15)
InChIKeyXQWIDWNCUZVIHF-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.28
Rot. Bonds3

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

3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine (PubChem CID 115001203) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
PubChem CID115001203
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
SMILESCOc1cccc(Nc2cnnc(Cl)n2)c1
InChIInChI=1S/C10H9ClN4O/c1-16-8-4-2-3-7(5-8)13-9-6-12-15-10(11)14-9/h2-6H,1H3,(H,13,14,15)
InChIKeyXQWIDWNCUZVIHF-UHFFFAOYSA-N
XLogP2.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
5-N-(3,4-dimethoxyphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967269
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967203
3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 114999025
3-N-[4-(dimethylamino)phenyl]-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967216
5-N-(4-ethylphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964173
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961152
3-N-(3-methoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967266
3-N-(4-ethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967197
3-N-(2,5-dimethylphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963240
3-N-[(4-fluorophenyl)methyl]-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112950119
5-N-(3-methoxyphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine (CID 115001203) is 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine is COc1cccc(Nc2cnnc(Cl)n2)c1.
What is the InChIKey of 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine?
The InChIKey is XQWIDWNCUZVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-16-8-4-2-3-7(5-8)13-9-6-12-15-10(11)14-9/h2-6H,1H3,(H,13,14,15).
What are the key properties of 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine?
3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine has a molecular weight of 236.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115001203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).