4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine

C19H21N5O — CID 75439533

IUPAC4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
SMILESCc1cc(CN2CCC(Oc3ccncc3)C2)ccc1-n1cncn1
InChIInChI=1S/C19H21N5O/c1-15-10-16(2-3-19(15)24-14-21-13-22-24)11-23-9-6-18(12-23)25-17-4-7-20-8-5-17/h2-5,7-8,10,13-14,18H,6,9,11-12H2,1H3
InChIKeyCQMNCZYFGDMBPD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.62
Rot. Bonds5

About 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine

4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine (PubChem CID 75439533) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
PubChem CID75439533
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
SMILESCc1cc(CN2CCC(Oc3ccncc3)C2)ccc1-n1cncn1
InChIInChI=1S/C19H21N5O/c1-15-10-16(2-3-19(15)24-14-21-13-22-24)11-23-9-6-18(12-23)25-17-4-7-20-8-5-17/h2-5,7-8,10,13-14,18H,6,9,11-12H2,1H3
InChIKeyCQMNCZYFGDMBPD-UHFFFAOYSA-N
XLogP2.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 75439988
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine
CID 120909410
6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
CID 154738911
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910449
1-(2-methylphenyl)-4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]pyrazole
CID 166398373
4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole
CID 75384821
2-[4-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 97160514
2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907058
9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500687
1-[4-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-2-methylphenyl]-1,2,4-triazole
CID 128979667
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine (CID 75439533) is 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine is Cc1cc(CN2CCC(Oc3ccncc3)C2)ccc1-n1cncn1.
What is the InChIKey of 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine?
The InChIKey is CQMNCZYFGDMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-10-16(2-3-19(15)24-14-21-13-22-24)11-23-9-6-18(12-23)25-17-4-7-20-8-5-17/h2-5,7-8,10,13-14,18H,6,9,11-12H2,1H3.
What are the key properties of 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine?
4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine has a molecular weight of 335.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 75439533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).