3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine

C15H19ClN6S — CID 118248914

IUPAC3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine
SMILESCC1(N)CCN(c2nnc(Sc3ccccc3Cl)c(N)n2)CC1
InChIInChI=1S/C15H19ClN6S/c1-15(18)6-8-22(9-7-15)14-19-12(17)13(20-21-14)23-11-5-3-2-4-10(11)16/h2-5H,6-9,18H2,1H3,(H2,17,19,21)
InChIKeyOFMIKQCMZTZQBP-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.58
Rot. Bonds3

About 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine

3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine (PubChem CID 118248914) has the molecular formula C15H19ClN6S and a molecular weight of 350.88 g/mol. Its IUPAC name is 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine
PubChem CID118248914
Molecular FormulaC15H19ClN6S
Molecular Weight350.88 g/mol
Exact Mass350.11
IUPAC Name3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine
SMILESCC1(N)CCN(c2nnc(Sc3ccccc3Cl)c(N)n2)CC1
InChIInChI=1S/C15H19ClN6S/c1-15(18)6-8-22(9-7-15)14-19-12(17)13(20-21-14)23-11-5-3-2-4-10(11)16/h2-5H,6-9,18H2,1H3,(H2,17,19,21)
InChIKeyOFMIKQCMZTZQBP-UHFFFAOYSA-N
XLogP2.58
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 118248952
[4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]naphthalene-2-carboxamide;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine
CID 161140862
6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 160542934
3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
CID 102761364
1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 177371146
N-[3-[[5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1,2,4-triazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251358
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine
CID 164743576
2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine
CID 156701789
benzyl N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]carbamate
CID 167297054
6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 151550928
4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
CID 82235546
2-chloro-4-(2-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
CID 62867554

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine (CID 118248914) is 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine is CC1(N)CCN(c2nnc(Sc3ccccc3Cl)c(N)n2)CC1.
What is the InChIKey of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine?
The InChIKey is OFMIKQCMZTZQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6S/c1-15(18)6-8-22(9-7-15)14-19-12(17)13(20-21-14)23-11-5-3-2-4-10(11)16/h2-5H,6-9,18H2,1H3,(H2,17,19,21).
What are the key properties of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine?
3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine has a molecular weight of 350.88 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 118248914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).