3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine

C19H20N4O — CID 146145846

IUPAC3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3cccnc3)nn2C2CCCC2)cc1
InChIInChI=1S/C19H20N4O/c1-24-17-10-8-14(9-11-17)19-21-18(15-5-4-12-20-13-15)22-23(19)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3
InChIKeyNORRXMPRADKLQG-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.13
Rot. Bonds4

About 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine

3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 146145846) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID146145846
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3cccnc3)nn2C2CCCC2)cc1
InChIInChI=1S/C19H20N4O/c1-24-17-10-8-14(9-11-17)19-21-18(15-5-4-12-20-13-15)22-23(19)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3
InChIKeyNORRXMPRADKLQG-UHFFFAOYSA-N
XLogP4.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole
CID 146145839
1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
CID 167810339
3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
CID 56935430
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
7-(1-methylcyclopropyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840169
(3-methoxyphenyl)-(2-pyridin-3-ylspiro[4a,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]-4-yl)methanone
CID 74069390
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
3-(4-methoxyphenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 5311680
1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
CID 68884306
1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587444
4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine (CID 146145846) is 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine is COc1ccc(-c2nc(-c3cccnc3)nn2C2CCCC2)cc1.
What is the InChIKey of 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is NORRXMPRADKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-17-10-8-14(9-11-17)19-21-18(15-5-4-12-20-13-15)22-23(19)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3.
What are the key properties of 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 320.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 146145846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).