4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H18N6S — CID 80889900

IUPAC4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCCC(Sc2nc(N)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H18N6S/c1-9-4-2-5-10(8-9)20-13-17-11(14)16-12(18-13)19-7-3-6-15-19/h3,6-7,9-10H,2,4-5,8H2,1H3,(H2,14,16,17,18)
InChIKeyYWGGRKOCGVIADH-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.31
Rot. Bonds3

About 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80889900) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80889900
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCCC(Sc2nc(N)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H18N6S/c1-9-4-2-5-10(8-9)20-13-17-11(14)16-12(18-13)19-7-3-6-15-19/h3,6-7,9-10H,2,4-5,8H2,1H3,(H2,14,16,17,18)
InChIKeyYWGGRKOCGVIADH-UHFFFAOYSA-N
XLogP2.31
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80778221
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
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-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894397
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883813
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80889900) is 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC1CCCC(Sc2nc(N)nc(-n3cccn3)n2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YWGGRKOCGVIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-9-4-2-5-10(8-9)20-13-17-11(14)16-12(18-13)19-7-3-6-15-19/h3,6-7,9-10H,2,4-5,8H2,1H3,(H2,14,16,17,18).
What are the key properties of 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 290.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).