2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine

C15H18N4S — CID 43770416

IUPAC2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1nnc2ccccn12)c1cccs1
InChIInChI=1S/C15H18N4S/c1-11(2)15(12-6-5-9-20-12)16-10-14-18-17-13-7-3-4-8-19(13)14/h3-9,11,15-16H,10H2,1-2H3
InChIKeyPIOKUCWAVROHSC-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.28
Rot. Bonds5

About 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine

2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine (PubChem CID 43770416) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
PubChem CID43770416
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1nnc2ccccn12)c1cccs1
InChIInChI=1S/C15H18N4S/c1-11(2)15(12-6-5-9-20-12)16-10-14-18-17-13-7-3-4-8-19(13)14/h3-9,11,15-16H,10H2,1-2H3
InChIKeyPIOKUCWAVROHSC-UHFFFAOYSA-N
XLogP3.28
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine (CID 43770416) is 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine is CC(C)C(NCc1nnc2ccccn12)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is PIOKUCWAVROHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-11(2)15(12-6-5-9-20-12)16-10-14-18-17-13-7-3-4-8-19(13)14/h3-9,11,15-16H,10H2,1-2H3.
What are the key properties of 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 43770416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).