cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone

C11H15N3O — CID 103448123

IUPACcyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1=CCCC1
InChIInChI=1S/C11H15N3O/c1-2-7-14-10(8-12-13-14)11(15)9-5-3-4-6-9/h5,8H,2-4,6-7H2,1H3
InChIKeyYFVJKAKKTDATPP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds4

About cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone

cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone (PubChem CID 103448123) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
PubChem CID103448123
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Namecyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1=CCCC1
InChIInChI=1S/C11H15N3O/c1-2-7-14-10(8-12-13-14)11(15)9-5-3-4-6-9/h5,8H,2-4,6-7H2,1H3
InChIKeyYFVJKAKKTDATPP-UHFFFAOYSA-N
XLogP1.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 114685686
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 103448192
(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
CID 114686087
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
CID 114685998
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114686277
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 106656109
(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802433
(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 105129518
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
CID 103448076
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone (CID 103448123) is cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone?
The InChIKey is YFVJKAKKTDATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-7-14-10(8-12-13-14)11(15)9-5-3-4-6-9/h5,8H,2-4,6-7H2,1H3.
What are the key properties of cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone?
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 103448123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).