3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole

C15H20N4O — CID 126437933

IUPAC3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
SMILESCOc1n[nH]c(-c2cccc([C@@H](C)N3CCCC3)c2)n1
InChIInChI=1S/C15H20N4O/c1-11(19-8-3-4-9-19)12-6-5-7-13(10-12)14-16-15(20-2)18-17-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyQFXIVVDNXGVVQQ-LLVKDONJSA-N
MW272.35 g/mol
LogP2.64
Rot. Bonds4

About 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole

3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole (PubChem CID 126437933) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
PubChem CID126437933
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
SMILESCOc1n[nH]c(-c2cccc([C@@H](C)N3CCCC3)c2)n1
InChIInChI=1S/C15H20N4O/c1-11(19-8-3-4-9-19)12-6-5-7-13(10-12)14-16-15(20-2)18-17-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyQFXIVVDNXGVVQQ-LLVKDONJSA-N
XLogP2.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126427612
3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
CID 121498247
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
5-methoxy-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 121497591
methyl 4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrrole-2-carboxylate
CID 95220274
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole?
The IUPAC name of 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole (CID 126437933) is 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole is COc1n[nH]c(-c2cccc([C@@H](C)N3CCCC3)c2)n1.
What is the InChIKey of 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole?
The InChIKey is QFXIVVDNXGVVQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(19-8-3-4-9-19)12-6-5-7-13(10-12)14-16-15(20-2)18-17-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole?
3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole has a molecular weight of 272.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 126437933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).