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

C18H24ClN5 — CID 124880355

IUPAC(6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESClc1ccc(CN2CCC(N[C@@H]3CCc4ncnn4C3)CC2)cc1
InChIInChI=1S/C18H24ClN5/c19-15-3-1-14(2-4-15)11-23-9-7-16(8-10-23)22-17-5-6-18-20-13-21-24(18)12-17/h1-4,13,16-17,22H,5-12H2/t17-/m1/s1
InChIKeyCQMYUAKMFIZNGH-QGZVFWFLSA-N
MW345.88 g/mol
LogP2.50
Rot. Bonds4

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

(6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 124880355) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID124880355
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC Name(6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESClc1ccc(CN2CCC(N[C@@H]3CCc4ncnn4C3)CC2)cc1
InChIInChI=1S/C18H24ClN5/c19-15-3-1-14(2-4-15)11-23-9-7-16(8-10-23)22-17-5-6-18-20-13-21-24(18)12-17/h1-4,13,16-17,22H,5-12H2/t17-/m1/s1
InChIKeyCQMYUAKMFIZNGH-QGZVFWFLSA-N
XLogP2.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 124880355) is (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Clc1ccc(CN2CCC(N[C@@H]3CCc4ncnn4C3)CC2)cc1.
What is the InChIKey of (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is CQMYUAKMFIZNGH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24ClN5/c19-15-3-1-14(2-4-15)11-23-9-7-16(8-10-23)22-17-5-6-18-20-13-21-24(18)12-17/h1-4,13,16-17,22H,5-12H2/t17-/m1/s1.
What are the key properties of (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 345.88 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 124880355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).