3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole

C10H16N4O — CID 61336588

IUPAC3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCOC1CNC(c2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-15-7-4-8(11-5-7)10-12-9(13-14-10)6-2-3-6/h6-8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyMEJMFLDMERFNEI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.73
Rot. Bonds3

About 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole

3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole (PubChem CID 61336588) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
PubChem CID61336588
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCOC1CNC(c2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-15-7-4-8(11-5-7)10-12-9(13-14-10)6-2-3-6/h6-8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyMEJMFLDMERFNEI-UHFFFAOYSA-N
XLogP0.73
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole (CID 61336588) is 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole is COC1CNC(c2nc(C3CC3)n[nH]2)C1.
What is the InChIKey of 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The InChIKey is MEJMFLDMERFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-7-4-8(11-5-7)10-12-9(13-14-10)6-2-3-6/h6-8,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole has a molecular weight of 208.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61336588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).