2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H24N4O — CID 47089137

IUPAC2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN(CC2CCCCC2)C2CC2)nc2ccccn12
InChIInChI=1S/C17H24N4O/c22-17-20-11-5-4-8-16(20)18-21(17)13-19(15-9-10-15)12-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2
InChIKeyYBBREFANQYYOSV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.50
Rot. Bonds5

About 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 47089137) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID47089137
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN(CC2CCCCC2)C2CC2)nc2ccccn12
InChIInChI=1S/C17H24N4O/c22-17-20-11-5-4-8-16(20)18-21(17)13-19(15-9-10-15)12-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2
InChIKeyYBBREFANQYYOSV-UHFFFAOYSA-N
XLogP2.50
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92863533
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate
CID 86952532
2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115701777
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 119202580
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102846362
2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618642
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 47089137) is 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CN(CC2CCCCC2)C2CC2)nc2ccccn12.
What is the InChIKey of 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YBBREFANQYYOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17-20-11-5-4-8-16(20)18-21(17)13-19(15-9-10-15)12-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2.
What are the key properties of 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 300.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 47089137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).