N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine

C11H20N4 — CID 117157081

IUPACN,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCC1CCn2nc(CCN(C)C)nc2C1
InChIInChI=1S/C11H20N4/c1-9-4-7-15-11(8-9)12-10(13-15)5-6-14(2)3/h9H,4-8H2,1-3H3
InChIKeyJTGWAUGKSDADON-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.96
Rot. Bonds3

About N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine

N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (PubChem CID 117157081) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
PubChem CID117157081
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCC1CCn2nc(CCN(C)C)nc2C1
InChIInChI=1S/C11H20N4/c1-9-4-7-15-11(8-9)12-10(13-15)5-6-14(2)3/h9H,4-8H2,1-3H3
InChIKeyJTGWAUGKSDADON-UHFFFAOYSA-N
XLogP0.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (CID 117157081) is N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is CC1CCn2nc(CCN(C)C)nc2C1.
What is the InChIKey of N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The InChIKey is JTGWAUGKSDADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-4-7-15-11(8-9)12-10(13-15)5-6-14(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is sourced from PubChem (CID 117157081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).