3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

C16H22N4 — CID 66788310

IUPAC3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(C2CCNCC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C16H22N4/c1-11-14(13-4-7-17-8-5-13)6-9-20-15(10-12-2-3-12)18-19-16(11)20/h6,9,12-13,17H,2-5,7-8,10H2,1H3
InChIKeyBHBWUAGPLNWAJN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.46
Rot. Bonds3

About 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66788310) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66788310
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(C2CCNCC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C16H22N4/c1-11-14(13-4-7-17-8-5-13)6-9-20-15(10-12-2-3-12)18-19-16(11)20/h6,9,12-13,17H,2-5,7-8,10H2,1H3
InChIKeyBHBWUAGPLNWAJN-UHFFFAOYSA-N
XLogP2.46
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 66788310) is 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(C2CCNCC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BHBWUAGPLNWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-14(13-4-7-17-8-5-13)6-9-20-15(10-12-2-3-12)18-19-16(11)20/h6,9,12-13,17H,2-5,7-8,10H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66788310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).