[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C16H22N4 — CID 105392348

IUPAC[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCC1CCn2c(CCCc3ccccc3)nnc2C1
InChIInChI=1S/C16H22N4/c17-12-14-9-10-20-15(18-19-16(20)11-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2
InChIKeyZLLJNQPNZCHCAY-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.97
Rot. Bonds5

About [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 105392348) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID105392348
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCC1CCn2c(CCCc3ccccc3)nnc2C1
InChIInChI=1S/C16H22N4/c17-12-14-9-10-20-15(18-19-16(20)11-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2
InChIKeyZLLJNQPNZCHCAY-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 105392348) is [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is NCC1CCn2c(CCCc3ccccc3)nnc2C1.
What is the InChIKey of [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is ZLLJNQPNZCHCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-12-14-9-10-20-15(18-19-16(20)11-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2.
What are the key properties of [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 105392348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).