(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H19ClN4 — CID 99824859

IUPAC(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESC[C@H](CN[C@H]1CCCn2ncnc21)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11(12-4-2-5-13(16)8-12)9-17-14-6-3-7-20-15(14)18-10-19-20/h2,4-5,8,10-11,14,17H,3,6-7,9H2,1H3/t11-,14+/m1/s1
InChIKeyLGBZOIAZSNBIPU-RISCZKNCSA-N
MW290.80 g/mol
LogP3.16
Rot. Bonds4

About (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 99824859) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID99824859
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESC[C@H](CN[C@H]1CCCn2ncnc21)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11(12-4-2-5-13(16)8-12)9-17-14-6-3-7-20-15(14)18-10-19-20/h2,4-5,8,10-11,14,17H,3,6-7,9H2,1H3/t11-,14+/m1/s1
InChIKeyLGBZOIAZSNBIPU-RISCZKNCSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Related Compounds

N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 115876715
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 91650703
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 104582927
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
3-[(2R)-1-[(2R)-2-(3-chlorophenyl)propyl]pyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 99823891
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
(2R)-2-(3-chlorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 99824434
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 99824859) is (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is C[C@H](CN[C@H]1CCCn2ncnc21)c1cccc(Cl)c1.
What is the InChIKey of (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is LGBZOIAZSNBIPU-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11(12-4-2-5-13(16)8-12)9-17-14-6-3-7-20-15(14)18-10-19-20/h2,4-5,8,10-11,14,17H,3,6-7,9H2,1H3/t11-,14+/m1/s1.
What are the key properties of (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 290.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 99824859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).