3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine

C9H9Cl2N5S — CID 102761241

IUPAC3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
SMILESCNc1nc(Sc2nncn2C)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5S/c1-12-7-5(10)3-6(11)8(14-7)17-9-15-13-4-16(9)2/h3-4H,1-2H3,(H,12,14)
InChIKeyGHHJKJQXYQRULO-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.71
Rot. Bonds3

About 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine

3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine (PubChem CID 102761241) has the molecular formula C9H9Cl2N5S and a molecular weight of 290.18 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
PubChem CID102761241
Molecular FormulaC9H9Cl2N5S
Molecular Weight290.18 g/mol
Exact Mass289.00
IUPAC Name3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
SMILESCNc1nc(Sc2nncn2C)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5S/c1-12-7-5(10)3-6(11)8(14-7)17-9-15-13-4-16(9)2/h3-4H,1-2H3,(H,12,14)
InChIKeyGHHJKJQXYQRULO-UHFFFAOYSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 80726097
2-ethyl-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937646
2-N,4-N-bis(2,4-dichlorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 124544078
4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 63730609
3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765930
3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 63089221
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
CID 102761369
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine
CID 102988738
N-[[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 81159845
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine (CID 102761241) is 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine is CNc1nc(Sc2nncn2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The InChIKey is GHHJKJQXYQRULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5S/c1-12-7-5(10)3-6(11)8(14-7)17-9-15-13-4-16(9)2/h3-4H,1-2H3,(H,12,14).
What are the key properties of 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine has a molecular weight of 290.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 102761241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).