5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one

C12H19N5O — CID 107530817

IUPAC5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2cc(CNCC3CC3)nn2)N1
InChIInChI=1S/C12H19N5O/c18-12-4-3-10(14-12)7-17-8-11(15-16-17)6-13-5-9-1-2-9/h8-10,13H,1-7H2,(H,14,18)
InChIKeyGVPZHDDAVRELRE-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.06
Rot. Bonds6

About 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one

5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 107530817) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID107530817
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2cc(CNCC3CC3)nn2)N1
InChIInChI=1S/C12H19N5O/c18-12-4-3-10(14-12)7-17-8-11(15-16-17)6-13-5-9-1-2-9/h8-10,13H,1-7H2,(H,14,18)
InChIKeyGVPZHDDAVRELRE-UHFFFAOYSA-N
XLogP0.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one (CID 107530817) is 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(Cn2cc(CNCC3CC3)nn2)N1.
What is the InChIKey of 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is GVPZHDDAVRELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-12-4-3-10(14-12)7-17-8-11(15-16-17)6-13-5-9-1-2-9/h8-10,13H,1-7H2,(H,14,18).
What are the key properties of 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).