4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole

C15H20N4O — CID 95197300

IUPAC4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2[C@H](C)N2CCCC2)cc1
InChIInChI=1S/C15H20N4O/c1-12(18-9-3-4-10-18)15-17-16-11-19(15)13-5-7-14(20-2)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeySKPHBOPENKDBFB-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole

4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole (PubChem CID 95197300) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole
PubChem CID95197300
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2[C@H](C)N2CCCC2)cc1
InChIInChI=1S/C15H20N4O/c1-12(18-9-3-4-10-18)15-17-16-11-19(15)13-5-7-14(20-2)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeySKPHBOPENKDBFB-LBPRGKRZSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole
CID 95218108
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
N-carbamoyl-2-[[4-(4-methoxyphenyl)-5-[(1S)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7488607
(3S)-3-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 95188135
N-[2-[[4-(4-methoxyphenyl)-5-[(1R)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophene-2-carboxamide
CID 40862877
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
2-[(1R)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579503
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938778
1-(4-methoxyphenyl)piperidine
CID 10130315
4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
CID 56706565
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole (CID 95197300) is 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole is COc1ccc(-n2cnnc2[C@H](C)N2CCCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole?
The InChIKey is SKPHBOPENKDBFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(18-9-3-4-10-18)15-17-16-11-19(15)13-5-7-14(20-2)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole?
4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole has a molecular weight of 272.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole is sourced from PubChem (CID 95197300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).