(4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone

C9H14N4O2 — CID 114691910

IUPAC(4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone
SMILESCOC1CNC(C(=O)c2cnnn2C)C1
InChIInChI=1S/C9H14N4O2/c1-13-8(5-11-12-13)9(14)7-3-6(15-2)4-10-7/h5-7,10H,3-4H2,1-2H3
InChIKeyNXFTVWYQOJNQQK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.63
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone

(4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone (PubChem CID 114691910) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone
PubChem CID114691910
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone
SMILESCOC1CNC(C(=O)c2cnnn2C)C1
InChIInChI=1S/C9H14N4O2/c1-13-8(5-11-12-13)9(14)7-3-6(15-2)4-10-7/h5-7,10H,3-4H2,1-2H3
InChIKeyNXFTVWYQOJNQQK-UHFFFAOYSA-N
XLogP-0.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone (CID 114691910) is (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone is COC1CNC(C(=O)c2cnnn2C)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is NXFTVWYQOJNQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-8(5-11-12-13)9(14)7-3-6(15-2)4-10-7/h5-7,10H,3-4H2,1-2H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 210.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 114691910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).