5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine

C20H20ClN5O — CID 25287947

IUPAC5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
SMILESClc1cccc(-c2cnnc(N3CCC[C@@H](OCc4cccnc4)C3)n2)c1
InChIInChI=1S/C20H20ClN5O/c21-17-6-1-5-16(10-17)19-12-23-25-20(24-19)26-9-3-7-18(13-26)27-14-15-4-2-8-22-11-15/h1-2,4-6,8,10-12,18H,3,7,9,13-14H2/t18-/m1/s1
InChIKeyXPRXYSUVQFHNGE-GOSISDBHSA-N
MW381.87 g/mol
LogP3.77
Rot. Bonds5

About 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine

5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine (PubChem CID 25287947) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
PubChem CID25287947
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
SMILESClc1cccc(-c2cnnc(N3CCC[C@@H](OCc4cccnc4)C3)n2)c1
InChIInChI=1S/C20H20ClN5O/c21-17-6-1-5-16(10-17)19-12-23-25-20(24-19)26-9-3-7-18(13-26)27-14-15-4-2-8-22-11-15/h1-2,4-6,8,10-12,18H,3,7,9,13-14H2/t18-/m1/s1
InChIKeyXPRXYSUVQFHNGE-GOSISDBHSA-N
XLogP3.77
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine with MolForge

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Related Compounds

5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886
4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 95128247
5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
CID 42525848
6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
CID 70745111
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 70786365
5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 96574780
5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
CID 25309642
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine (CID 25287947) is 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine is Clc1cccc(-c2cnnc(N3CCC[C@@H](OCc4cccnc4)C3)n2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine?
The InChIKey is XPRXYSUVQFHNGE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-17-6-1-5-16(10-17)19-12-23-25-20(24-19)26-9-3-7-18(13-26)27-14-15-4-2-8-22-11-15/h1-2,4-6,8,10-12,18H,3,7,9,13-14H2/t18-/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine?
5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine has a molecular weight of 381.87 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 25287947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).