5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine

C9H10ClN5S — CID 104604017

IUPAC5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
SMILESCn1ncnc1SCc1nc(N)ccc1Cl
InChIInChI=1S/C9H10ClN5S/c1-15-9(12-5-13-15)16-4-7-6(10)2-3-8(11)14-7/h2-3,5H,4H2,1H3,(H2,11,14)
InChIKeyOLOJXAPOSPDIAH-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.74
Rot. Bonds3

About 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine

5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 104604017) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID104604017
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
SMILESCn1ncnc1SCc1nc(N)ccc1Cl
InChIInChI=1S/C9H10ClN5S/c1-15-9(12-5-13-15)16-4-7-6(10)2-3-8(11)14-7/h2-3,5H,4H2,1H3,(H2,11,14)
InChIKeyOLOJXAPOSPDIAH-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 104588089
3-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786693
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
CID 104603985
5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 55127747
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
2-chloro-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 104602715
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62886010
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
CID 114199375
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole
CID 130666192
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953
N-(4-amino-2-chlorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602878

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine (CID 104604017) is 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine is Cn1ncnc1SCc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is OLOJXAPOSPDIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-15-9(12-5-13-15)16-4-7-6(10)2-3-8(11)14-7/h2-3,5H,4H2,1H3,(H2,11,14).
What are the key properties of 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine?
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 255.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 104604017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).