(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C12H19N5O2 — CID 110471567

IUPAC(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCC(N3CCOCC3)C2)nn1
InChIInChI=1S/C12H19N5O2/c1-15-9-11(13-14-15)12(18)17-3-2-10(8-17)16-4-6-19-7-5-16/h9-10H,2-8H2,1H3
InChIKeyYQMUEYHXBGZEJT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.64
Rot. Bonds2

About (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 110471567) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID110471567
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCC(N3CCOCC3)C2)nn1
InChIInChI=1S/C12H19N5O2/c1-15-9-11(13-14-15)12(18)17-3-2-10(8-17)16-4-6-19-7-5-16/h9-10H,2-8H2,1H3
InChIKeyYQMUEYHXBGZEJT-UHFFFAOYSA-N
XLogP-0.64
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 110471567) is (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is Cn1cc(C(=O)N2CCC(N3CCOCC3)C2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is YQMUEYHXBGZEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15-9-11(13-14-15)12(18)17-3-2-10(8-17)16-4-6-19-7-5-16/h9-10H,2-8H2,1H3.
What are the key properties of (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110471567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).