N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine

C9H12N4S — CID 65363303

IUPACN-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1csc(C)c1)c1ncn[nH]1
InChIInChI=1S/C9H12N4S/c1-6-3-7(4-14-6)8(10-2)9-11-5-12-13-9/h3-5,8,10H,1-2H3,(H,11,12,13)
InChIKeyWRIZRUCOIZSOHD-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.48
Rot. Bonds3

About N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine

N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65363303) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65363303
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1csc(C)c1)c1ncn[nH]1
InChIInChI=1S/C9H12N4S/c1-6-3-7(4-14-6)8(10-2)9-11-5-12-13-9/h3-5,8,10H,1-2H3,(H,11,12,13)
InChIKeyWRIZRUCOIZSOHD-UHFFFAOYSA-N
XLogP1.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 65363303) is N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine is CNC(c1csc(C)c1)c1ncn[nH]1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is WRIZRUCOIZSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-3-7(4-14-6)8(10-2)9-11-5-12-13-9/h3-5,8,10H,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65363303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).