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

C12H10ClN7O — CID 62868168

IUPAC4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2nc(Cl)nc(-n3cncn3)n2)c1
InChIInChI=1S/C12H10ClN7O/c1-21-9-4-2-3-8(5-9)16-11-17-10(13)18-12(19-11)20-7-14-6-15-20/h2-7H,1H3,(H,16,17,18,19)
InChIKeyQTMXRINKPUYTFY-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.86
Rot. Bonds4

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

4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62868168) has the molecular formula C12H10ClN7O and a molecular weight of 303.71 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62868168
Molecular FormulaC12H10ClN7O
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2nc(Cl)nc(-n3cncn3)n2)c1
InChIInChI=1S/C12H10ClN7O/c1-21-9-4-2-3-8(5-9)16-11-17-10(13)18-12(19-11)20-7-14-6-15-20/h2-7H,1H3,(H,16,17,18,19)
InChIKeyQTMXRINKPUYTFY-UHFFFAOYSA-N
XLogP1.86
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868495
4-chloro-N-(4-chloro-3-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62862884
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
2-chloro-4-(2-fluoro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 115505173
[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol
CID 11726257
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106192337
4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 110190045
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62868168) is 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is COc1cccc(Nc2nc(Cl)nc(-n3cncn3)n2)c1.
What is the InChIKey of 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is QTMXRINKPUYTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN7O/c1-21-9-4-2-3-8(5-9)16-11-17-10(13)18-12(19-11)20-7-14-6-15-20/h2-7H,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 303.71 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).