2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C13H19N7 — CID 80778221

IUPAC2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCCCC1Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-9-5-2-3-6-10(9)16-12-17-11(14)18-13(19-12)20-8-4-7-15-20/h4,7-10H,2-3,5-6H2,1H3,(H3,14,16,17,18,19)
InChIKeyAZAANOWLIYVEAN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds3

About 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80778221) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80778221
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCCCC1Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-9-5-2-3-6-10(9)16-12-17-11(14)18-13(19-12)20-8-4-7-15-20/h4,7-10H,2-3,5-6H2,1H3,(H3,14,16,17,18,19)
InChIKeyAZAANOWLIYVEAN-UHFFFAOYSA-N
XLogP1.63
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213
2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80825648
2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80830801
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853473
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106029137
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80778221) is 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CC1CCCCC1Nc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AZAANOWLIYVEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-9-5-2-3-6-10(9)16-12-17-11(14)18-13(19-12)20-8-4-7-15-20/h4,7-10H,2-3,5-6H2,1H3,(H3,14,16,17,18,19).
What are the key properties of 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).