(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone

C11H18N4O — CID 114692008

IUPAC(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cnnn2C)CCNC1
InChIInChI=1S/C11H18N4O/c1-3-4-11(5-6-12-8-11)10(16)9-7-13-14-15(9)2/h7,12H,3-6,8H2,1-2H3
InChIKeyBAKWESQZOZDSOR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds4

About (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone

(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 114692008) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID114692008
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cnnn2C)CCNC1
InChIInChI=1S/C11H18N4O/c1-3-4-11(5-6-12-8-11)10(16)9-7-13-14-15(9)2/h7,12H,3-6,8H2,1-2H3
InChIKeyBAKWESQZOZDSOR-UHFFFAOYSA-N
XLogP0.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone
CID 103449684
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
CID 103133140
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709361
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 114692008) is (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)c2cnnn2C)CCNC1.
What is the InChIKey of (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is BAKWESQZOZDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-4-11(5-6-12-8-11)10(16)9-7-13-14-15(9)2/h7,12H,3-6,8H2,1-2H3.
What are the key properties of (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114692008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).