[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine

C10H11ClN4S — CID 104603463

IUPAC[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
SMILESCn1ncnc1Sc1ccc(Cl)cc1CN
InChIInChI=1S/C10H11ClN4S/c1-15-10(13-6-14-15)16-9-3-2-8(11)4-7(9)5-12/h2-4,6H,5,12H2,1H3
InChIKeyADKFFGNGZIEYQN-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.08
Rot. Bonds3

About [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine

[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine (PubChem CID 104603463) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
PubChem CID104603463
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
SMILESCn1ncnc1Sc1ccc(Cl)cc1CN
InChIInChI=1S/C10H11ClN4S/c1-15-10(13-6-14-15)16-9-3-2-8(11)4-7(9)5-12/h2-4,6H,5,12H2,1H3
InChIKeyADKFFGNGZIEYQN-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
CID 104603478
[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 62495057
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 104603486
1-[2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 114065068
[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604417
(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431914
3-chloro-N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 113431722
3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 104603206
4-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79528483
(2-tert-butylsulfanyl-5-chlorophenyl)methanamine
CID 62493862
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
CID 66878534

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine (CID 104603463) is [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine is Cn1ncnc1Sc1ccc(Cl)cc1CN.
What is the InChIKey of [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The InChIKey is ADKFFGNGZIEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-15-10(13-6-14-15)16-9-3-2-8(11)4-7(9)5-12/h2-4,6H,5,12H2,1H3.
What are the key properties of [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine has a molecular weight of 254.75 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 104603463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).