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

C11H15ClN8 — CID 62864589

IUPAC4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCCC(Nc2nc(Cl)nc(-n3cncn3)n2)C1
InChIInChI=1S/C11H15ClN8/c1-19-4-2-3-8(5-19)15-10-16-9(12)17-11(18-10)20-7-13-6-14-20/h6-8H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyVNSQUHJPJVKNLI-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.61
Rot. Bonds3

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

4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62864589) has the molecular formula C11H15ClN8 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62864589
Molecular FormulaC11H15ClN8
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCCC(Nc2nc(Cl)nc(-n3cncn3)n2)C1
InChIInChI=1S/C11H15ClN8/c1-19-4-2-3-8(5-19)15-10-16-9(12)17-11(18-10)20-7-13-6-14-20/h6-8H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyVNSQUHJPJVKNLI-UHFFFAOYSA-N
XLogP0.61
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863333
4-chloro-N-(1,1-dioxothiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869890
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
CID 106192252
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83020439
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114630382
4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113258988
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62864589) is 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CN1CCCC(Nc2nc(Cl)nc(-n3cncn3)n2)C1.
What is the InChIKey of 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VNSQUHJPJVKNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN8/c1-19-4-2-3-8(5-19)15-10-16-9(12)17-11(18-10)20-7-13-6-14-20/h6-8H,2-5H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).