3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine

C13H18N4 — CID 113463274

IUPAC3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
SMILESCC1CC(NC(C)c2nnc3ccccn23)C1
InChIInChI=1S/C13H18N4/c1-9-7-11(8-9)14-10(2)13-16-15-12-5-3-4-6-17(12)13/h3-6,9-11,14H,7-8H2,1-2H3
InChIKeyJVEWHPXNGOKGOY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.18
Rot. Bonds3

About 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine

3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 113463274) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
PubChem CID113463274
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
SMILESCC1CC(NC(C)c2nnc3ccccn23)C1
InChIInChI=1S/C13H18N4/c1-9-7-11(8-9)14-10(2)13-16-15-12-5-3-4-6-17(12)13/h3-6,9-11,14H,7-8H2,1-2H3
InChIKeyJVEWHPXNGOKGOY-UHFFFAOYSA-N
XLogP2.18
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
CID 43230936
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
CID 65081528
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thian-3-amine
CID 62872894
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine
CID 79860135
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 79828642
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824393
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466137
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine (CID 113463274) is 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine is CC1CC(NC(C)c2nnc3ccccn23)C1.
What is the InChIKey of 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is JVEWHPXNGOKGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-7-11(8-9)14-10(2)13-16-15-12-5-3-4-6-17(12)13/h3-6,9-11,14H,7-8H2,1-2H3.
What are the key properties of 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine?
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 113463274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).