3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine

C10H13N5O2S — CID 114598698

IUPAC3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
SMILESCn1cnnc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C10H13N5O2S/c1-15-7-13-14-9(15)6-12-10-8(18(2,16)17)4-3-5-11-10/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyWTDZWDWVMNBAFG-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.23
Rot. Bonds4

About 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine

3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine (PubChem CID 114598698) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
PubChem CID114598698
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
SMILESCn1cnnc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C10H13N5O2S/c1-15-7-13-14-9(15)6-12-10-8(18(2,16)17)4-3-5-11-10/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyWTDZWDWVMNBAFG-UHFFFAOYSA-N
XLogP0.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 106544213
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
5-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]isoquinolin-1-amine
CID 106537763
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine (CID 114598698) is 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine is Cn1cnnc1CNc1ncccc1S(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is WTDZWDWVMNBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-15-7-13-14-9(15)6-12-10-8(18(2,16)17)4-3-5-11-10/h3-5,7H,6H2,1-2H3,(H,11,12).
What are the key properties of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 267.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114598698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).