6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine

C10H15ClN4 — CID 171763520

IUPAC6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NC2CCCCC2)nnc1Cl
InChIInChI=1S/C10H15ClN4/c1-7-9(11)14-15-10(12-7)13-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,15)
InChIKeyKYOHIQWOFFHHJT-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.58
Rot. Bonds2

About 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine

6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine (PubChem CID 171763520) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine
PubChem CID171763520
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NC2CCCCC2)nnc1Cl
InChIInChI=1S/C10H15ClN4/c1-7-9(11)14-15-10(12-7)13-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,15)
InChIKeyKYOHIQWOFFHHJT-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine (CID 171763520) is 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine is Cc1nc(NC2CCCCC2)nnc1Cl.
What is the InChIKey of 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is KYOHIQWOFFHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-9(11)14-15-10(12-7)13-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 171763520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).