1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine

C12H20N4 — CID 83866013

IUPAC1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine
SMILESCNCC1CCn2nc(C3CCC3)nc2C1
InChIInChI=1S/C12H20N4/c1-13-8-9-5-6-16-11(7-9)14-12(15-16)10-3-2-4-10/h9-10,13H,2-8H2,1H3
InChIKeyXTPXRMUUJRLEHV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds3

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

1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine (PubChem CID 83866013) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine
PubChem CID83866013
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine
SMILESCNCC1CCn2nc(C3CCC3)nc2C1
InChIInChI=1S/C12H20N4/c1-13-8-9-5-6-16-11(7-9)14-12(15-16)10-3-2-4-10/h9-10,13H,2-8H2,1H3
InChIKeyXTPXRMUUJRLEHV-UHFFFAOYSA-N
XLogP1.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine
CID 83866008
(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
CID 82567991
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)propan-2-amine
CID 83865979
methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567962
[2-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156174
[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156188
1-(3-chloro-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-N-methylmethanamine
CID 83869908
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 83882508
2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156585
N-methyl-1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanamine
CID 83865637
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one
CID 59541821

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine (CID 83866013) is 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine is CNCC1CCn2nc(C3CCC3)nc2C1.
What is the InChIKey of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine?
The InChIKey is XTPXRMUUJRLEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-13-8-9-5-6-16-11(7-9)14-12(15-16)10-3-2-4-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine?
1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine is sourced from PubChem (CID 83866013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).