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

C14H22N4 — CID 43203669

IUPAC4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCc1nnc2ccccn12
InChIInChI=1S/C14H22N4/c1-11(2)10-12(3)15-8-7-14-17-16-13-6-4-5-9-18(13)14/h4-6,9,11-12,15H,7-8,10H2,1-3H3
InChIKeyVXFFXBJWRUMALC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.30
Rot. Bonds6

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

4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine (PubChem CID 43203669) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
PubChem CID43203669
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCc1nnc2ccccn12
InChIInChI=1S/C14H22N4/c1-11(2)10-12(3)15-8-7-14-17-16-13-6-4-5-9-18(13)14/h4-6,9,11-12,15H,7-8,10H2,1-3H3
InChIKeyVXFFXBJWRUMALC-UHFFFAOYSA-N
XLogP2.30
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
CID 97160726
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
1-(4-iodophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768195
1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203680
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768206
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
1-(5-bromofuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 104652141
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43106751
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-methyl-1-propan-2-yl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111125756
1-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-1-amine
CID 62633765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine (CID 43203669) is 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine is CC(C)CC(C)NCCc1nnc2ccccn12.
What is the InChIKey of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
The InChIKey is VXFFXBJWRUMALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)10-12(3)15-8-7-14-17-16-13-6-4-5-9-18(13)14/h4-6,9,11-12,15H,7-8,10H2,1-3H3.
What are the key properties of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 43203669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).