4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole

C13H16N4O — CID 168514328

IUPAC4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2)cc1N1CCCC1
InChIInChI=1S/C13H16N4O/c1-18-13-5-4-11(17-9-14-15-10-17)8-12(13)16-6-2-3-7-16/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyUPNSSTUKEIJJRJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.88
Rot. Bonds3

About 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole

4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole (PubChem CID 168514328) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole
PubChem CID168514328
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2)cc1N1CCCC1
InChIInChI=1S/C13H16N4O/c1-18-13-5-4-11(17-9-14-15-10-17)8-12(13)16-6-2-3-7-16/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyUPNSSTUKEIJJRJ-UHFFFAOYSA-N
XLogP1.88
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 131922121
4-methoxy-3-piperidin-1-ylpyridine
CID 152705375
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
2-[1-[2-methoxy-5-(2-pyrimidin-2-ylpyrrolidin-1-yl)phenyl]pyrrolidin-2-yl]pyrimidine
CID 176902868
N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride
CID 87953604
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080
1-(4-methoxy-3-pyrrolidin-1-ylphenyl)-3-methylbutan-1-one
CID 94274092
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole
CID 70744471
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole (CID 168514328) is 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole is COc1ccc(-n2cnnc2)cc1N1CCCC1.
What is the InChIKey of 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole?
The InChIKey is UPNSSTUKEIJJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-13-5-4-11(17-9-14-15-10-17)8-12(13)16-6-2-3-7-16/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole?
4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole has a molecular weight of 244.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole is sourced from PubChem (CID 168514328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).