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

C17H26N4 — CID 28656471

IUPAC4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCCc2nnc3ccccn23)CC1
InChIInChI=1S/C17H26N4/c1-2-5-14-7-9-15(10-8-14)18-12-11-17-20-19-16-6-3-4-13-21(16)17/h3-4,6,13-15,18H,2,5,7-12H2,1H3
InChIKeyATUGLNKZQNMVHK-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.22
Rot. Bonds6

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

4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 28656471) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
PubChem CID28656471
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCCc2nnc3ccccn23)CC1
InChIInChI=1S/C17H26N4/c1-2-5-14-7-9-15(10-8-14)18-12-11-17-20-19-16-6-3-4-13-21(16)17/h3-4,6,13-15,18H,2,5,7-12H2,1H3
InChIKeyATUGLNKZQNMVHK-UHFFFAOYSA-N
XLogP3.22
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656296
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiolan-3-amine
CID 43181741
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 64775364
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
CID 64592335
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43203679
3-cyclohexyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618840
(3R)-1-benzyl-5,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidin-3-amine
CID 97090440
1-(cyclobutylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47221589
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
2-(aminomethyl)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 115432348
4-propyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohexan-1-amine
CID 63315088

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine (CID 28656471) is 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine is CCCC1CCC(NCCc2nnc3ccccn23)CC1.
What is the InChIKey of 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ATUGLNKZQNMVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-5-14-7-9-15(10-8-14)18-12-11-17-20-19-16-6-3-4-13-21(16)17/h3-4,6,13-15,18H,2,5,7-12H2,1H3.
What are the key properties of 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 28656471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).