N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine

C11H16N4S — CID 62733947

IUPACN-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(NC)c1nc(-c2cccs2)nn1C
InChIInChI=1S/C11H16N4S/c1-4-8(12-2)11-13-10(14-15(11)3)9-6-5-7-16-9/h5-8,12H,4H2,1-3H3
InChIKeyZGJAERDGYKESCJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine

N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62733947) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62733947
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(NC)c1nc(-c2cccs2)nn1C
InChIInChI=1S/C11H16N4S/c1-4-8(12-2)11-13-10(14-15(11)3)9-6-5-7-16-9/h5-8,12H,4H2,1-3H3
InChIKeyZGJAERDGYKESCJ-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine (CID 62733947) is N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine is CCC(NC)c1nc(-c2cccs2)nn1C.
What is the InChIKey of N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is ZGJAERDGYKESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-8(12-2)11-13-10(14-15(11)3)9-6-5-7-16-9/h5-8,12H,4H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62733947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).