2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C20H29N5 — CID 84595388

IUPAC2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc2n(n1)CCCC2NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H29N5/c1-16-21-20-19(8-5-12-25(20)23-16)22-18-10-14-24(15-11-18)13-9-17-6-3-2-4-7-17/h2-4,6-7,18-19,22H,5,8-15H2,1H3
InChIKeySZPDFBOGNILWTR-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.72
Rot. Bonds5

About 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 84595388) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID84595388
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc2n(n1)CCCC2NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H29N5/c1-16-21-20-19(8-5-12-25(20)23-16)22-18-10-14-24(15-11-18)13-9-17-6-3-2-4-7-17/h2-4,6-7,18-19,22H,5,8-15H2,1H3
InChIKeySZPDFBOGNILWTR-UHFFFAOYSA-N
XLogP2.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 84595388) is 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Cc1nc2n(n1)CCCC2NC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is SZPDFBOGNILWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-21-20-19(8-5-12-25(20)23-16)22-18-10-14-24(15-11-18)13-9-17-6-3-2-4-7-17/h2-4,6-7,18-19,22H,5,8-15H2,1H3.
What are the key properties of 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 339.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 84595388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).