3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole

C15H20N4O2 — CID 128979507

IUPAC3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ccco2)C1
InChIInChI=1S/C15H20N4O2/c1-20-12-7-13(15-16-14(17-18-15)10-4-5-10)19(9-12)8-11-3-2-6-21-11/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyGZPCWDPGKFWNOO-OLZOCXBDSA-N
MW288.35 g/mol
LogP2.24
Rot. Bonds5

About 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole

3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole (PubChem CID 128979507) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
PubChem CID128979507
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ccco2)C1
InChIInChI=1S/C15H20N4O2/c1-20-12-7-13(15-16-14(17-18-15)10-4-5-10)19(9-12)8-11-3-2-6-21-11/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyGZPCWDPGKFWNOO-OLZOCXBDSA-N
XLogP2.24
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[(2S,4R)-4-methoxy-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 154757080
3-cyclopropyl-5-[(2S,4R)-4-methoxy-1-(2-methoxyethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982749
3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 128982818
5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 128982747
3-cyclopropyl-5-[(2S,4R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982778
1-[2-[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]ethyl]-4-methylpiperidine
CID 128982880
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128985237
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 128985093
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(3-methylpyridazin-4-yl)methanone
CID 128985153
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
3H-benzimidazol-5-yl-[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985332
8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122269092

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole (CID 128979507) is 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole is CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ccco2)C1.
What is the InChIKey of 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The InChIKey is GZPCWDPGKFWNOO-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-12-7-13(15-16-14(17-18-15)10-4-5-10)19(9-12)8-11-3-2-6-21-11/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole has a molecular weight of 288.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S,4R)-1-(furan-2-ylmethyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 128979507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).