N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine

C9H12N4S — CID 107557738

IUPACN-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(Cn2cncn2)s1
InChIInChI=1S/C9H12N4S/c1-10-4-8-2-3-9(14-8)5-13-7-11-6-12-13/h2-3,6-7,10H,4-5H2,1H3
InChIKeyCVLWWWHFSYLXGE-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine

N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 107557738) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
PubChem CID107557738
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(Cn2cncn2)s1
InChIInChI=1S/C9H12N4S/c1-10-4-8-2-3-9(14-8)5-13-7-11-6-12-13/h2-3,6-7,10H,4-5H2,1H3
InChIKeyCVLWWWHFSYLXGE-UHFFFAOYSA-N
XLogP1.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
N-[(5-ethylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 62345734
[5-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764015
1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107557879
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 130979798
N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80729952
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
1-[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107555653
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine (CID 107557738) is N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine is CNCc1ccc(Cn2cncn2)s1.
What is the InChIKey of N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is CVLWWWHFSYLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-10-4-8-2-3-9(14-8)5-13-7-11-6-12-13/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107557738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).