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

C19H25N7 — CID 72934485

IUPAC4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCc1nccn1Cc1nnc(C2CCN(Cc3ccncc3)CC2)n1C
InChIInChI=1S/C19H25N7/c1-15-21-9-12-26(15)14-18-22-23-19(24(18)2)17-5-10-25(11-6-17)13-16-3-7-20-8-4-16/h3-4,7-9,12,17H,5-6,10-11,13-14H2,1-2H3
InChIKeyZSIYQCXXXYZSKT-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.14
Rot. Bonds5

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

4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 72934485) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
PubChem CID72934485
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCc1nccn1Cc1nnc(C2CCN(Cc3ccncc3)CC2)n1C
InChIInChI=1S/C19H25N7/c1-15-21-9-12-26(15)14-18-22-23-19(24(18)2)17-5-10-25(11-6-17)13-16-3-7-20-8-4-16/h3-4,7-9,12,17H,5-6,10-11,13-14H2,1-2H3
InChIKeyZSIYQCXXXYZSKT-UHFFFAOYSA-N
XLogP2.14
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72888558
4-[[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97210700
1-[(3-chlorophenyl)methyl]-4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 72882535
2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72899691
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740331
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
2-methyl-6-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72907219
1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 72883081
2-methyl-4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72924212
1-[2-(3-fluorophenyl)ethyl]-4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 72883318
4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine
CID 72927454
4,6-dimethyl-2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72882667

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine (CID 72934485) is 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine is Cc1nccn1Cc1nnc(C2CCN(Cc3ccncc3)CC2)n1C.
What is the InChIKey of 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is ZSIYQCXXXYZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-15-21-9-12-26(15)14-18-22-23-19(24(18)2)17-5-10-25(11-6-17)13-16-3-7-20-8-4-16/h3-4,7-9,12,17H,5-6,10-11,13-14H2,1-2H3.
What are the key properties of 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 351.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 72934485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).