4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H15ClN6S — CID 113494206

IUPAC4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCSC(C)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6S/c1-8(19-2)4-6-13-10-15-9(12)16-11(17-10)18-7-3-5-14-18/h3,5,7-8H,4,6H2,1-2H3,(H,13,15,16,17)
InChIKeyGUYKFAKBOYFLLZ-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.26
Rot. Bonds6

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

4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 113494206) has the molecular formula C11H15ClN6S and a molecular weight of 298.80 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID113494206
Molecular FormulaC11H15ClN6S
Molecular Weight298.80 g/mol
Exact Mass298.08
IUPAC Name4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCSC(C)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6S/c1-8(19-2)4-6-13-10-15-9(12)16-11(17-10)18-7-3-5-14-18/h3,5,7-8H,4,6H2,1-2H3,(H,13,15,16,17)
InChIKeyGUYKFAKBOYFLLZ-UHFFFAOYSA-N
XLogP2.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62864407
2-butan-2-ylsulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62865603
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
CID 106311250
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 113494206) is 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CSC(C)CCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GUYKFAKBOYFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6S/c1-8(19-2)4-6-13-10-15-9(12)16-11(17-10)18-7-3-5-14-18/h3,5,7-8H,4,6H2,1-2H3,(H,13,15,16,17).
What are the key properties of 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 298.80 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 113494206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).