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

C8H10ClN7 — CID 80857691

IUPAC4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C8H10ClN7/c1-4-11-5(2)16(15-4)8-13-6(9)12-7(10-3)14-8/h1-3H3,(H,10,12,13,14)
InChIKeySLQGWBXSWKPIMU-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.76
Rot. Bonds2

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

4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80857691) has the molecular formula C8H10ClN7 and a molecular weight of 239.67 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80857691
Molecular FormulaC8H10ClN7
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C8H10ClN7/c1-4-11-5(2)16(15-4)8-13-6(9)12-7(10-3)14-8/h1-3H3,(H,10,12,13,14)
InChIKeySLQGWBXSWKPIMU-UHFFFAOYSA-N
XLogP0.76
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80857869
4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80856747
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80857692
4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
CID 175302032
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine
CID 62480993
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80831513
5-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80857185
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80826625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine (CID 80857691) is 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(-n2nc(C)nc2C)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is SLQGWBXSWKPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7/c1-4-11-5(2)16(15-4)8-13-6(9)12-7(10-3)14-8/h1-3H3,(H,10,12,13,14).
What are the key properties of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 239.67 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80857691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).