N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C18H21N5O — CID 136569003

IUPACN-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(N2CCCC(Nc3cccc4nncn34)C2)c1
InChIInChI=1S/C18H21N5O/c1-24-16-7-2-6-15(11-16)22-10-4-5-14(12-22)20-17-8-3-9-18-21-19-13-23(17)18/h2-3,6-9,11,13-14,20H,4-5,10,12H2,1H3
InChIKeyBNBOMRCAVBVBFC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 136569003) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID136569003
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(N2CCCC(Nc3cccc4nncn34)C2)c1
InChIInChI=1S/C18H21N5O/c1-24-16-7-2-6-15(11-16)22-10-4-5-14(12-22)20-17-8-3-9-18-21-19-13-23(17)18/h2-3,6-9,11,13-14,20H,4-5,10,12H2,1H3
InChIKeyBNBOMRCAVBVBFC-UHFFFAOYSA-N
XLogP2.82
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine with MolForge

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569033
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione
CID 146112918
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798674
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine
CID 133304684
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine
CID 124622673
(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 99715384

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 136569003) is N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(N2CCCC(Nc3cccc4nncn34)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is BNBOMRCAVBVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-16-7-2-6-15(11-16)22-10-4-5-14(12-22)20-17-8-3-9-18-21-19-13-23(17)18/h2-3,6-9,11,13-14,20H,4-5,10,12H2,1H3.
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 323.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 136569003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).