3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine

C14H17Cl2N5 — CID 129492265

IUPAC3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
SMILESCc1nc([C@H]2CCCCN2Cc2ncc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H17Cl2N5/c1-9-18-14(20-19-9)13-4-2-3-5-21(13)8-12-11(16)6-10(15)7-17-12/h6-7,13H,2-5,8H2,1H3,(H,18,19,20)/t13-/m1/s1
InChIKeyYXEBBVFLCHTXGG-CYBMUJFWSA-N
MW326.23 g/mol
LogP3.54
Rot. Bonds3

About 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine

3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 129492265) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
PubChem CID129492265
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
SMILESCc1nc([C@H]2CCCCN2Cc2ncc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H17Cl2N5/c1-9-18-14(20-19-9)13-4-2-3-5-21(13)8-12-11(16)6-10(15)7-17-12/h6-7,13H,2-5,8H2,1H3,(H,18,19,20)/t13-/m1/s1
InChIKeyYXEBBVFLCHTXGG-CYBMUJFWSA-N
XLogP3.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
CID 77095137
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 129492253
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248
6-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyridazin-3-amine
CID 154802923
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 128969620
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74232912
4-chloro-5-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 77082520
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
4-methoxy-3-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 129492268
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969682

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine (CID 129492265) is 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine is Cc1nc([C@H]2CCCCN2Cc2ncc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is YXEBBVFLCHTXGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-9-18-14(20-19-9)13-4-2-3-5-21(13)8-12-11(16)6-10(15)7-17-12/h6-7,13H,2-5,8H2,1H3,(H,18,19,20)/t13-/m1/s1.
What are the key properties of 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 326.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 129492265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).