4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C14H21N7 — CID 80770964

IUPAC4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCCN1c1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C14H21N7/c1-3-11-7-4-5-9-20(11)13-17-12(15-2)18-14(19-13)21-10-6-8-16-21/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,17,18,19)
InChIKeyZHAOPILYVYRTJZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.87
Rot. Bonds4

About 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80770964) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80770964
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCCN1c1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C14H21N7/c1-3-11-7-4-5-9-20(11)13-17-12(15-2)18-14(19-13)21-10-6-8-16-21/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,17,18,19)
InChIKeyZHAOPILYVYRTJZ-UHFFFAOYSA-N
XLogP1.87
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4-(2-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80938606
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 104693064
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80773407
[1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]methanol
CID 80794266
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80776039
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80770964) is 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCC1CCCCN1c1nc(NC)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZHAOPILYVYRTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-3-11-7-4-5-9-20(11)13-17-12(15-2)18-14(19-13)21-10-6-8-16-21/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,17,18,19).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80770964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).