cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone

C10H14N4O — CID 119101736

IUPACcyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(n2nccn2)C1
InChIInChI=1S/C10H14N4O/c15-10(8-1-2-8)13-6-3-9(7-13)14-11-4-5-12-14/h4-5,8-9H,1-3,6-7H2
InChIKeyWIKIHTNHTNMGRD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.46
Rot. Bonds2

About cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone

cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 119101736) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID119101736
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Namecyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(n2nccn2)C1
InChIInChI=1S/C10H14N4O/c15-10(8-1-2-8)13-6-3-9(7-13)14-11-4-5-12-14/h4-5,8-9H,1-3,6-7H2
InChIKeyWIKIHTNHTNMGRD-UHFFFAOYSA-N
XLogP0.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124727706
1-adamantyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 119101749
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178729
(E)-3-phenyl-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892263
(E)-3-phenyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 121019054
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124761260
3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159907
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone (CID 119101736) is cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC(n2nccn2)C1.
What is the InChIKey of cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WIKIHTNHTNMGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-10(8-1-2-8)13-6-3-9(7-13)14-11-4-5-12-14/h4-5,8-9H,1-3,6-7H2.
What are the key properties of cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 206.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119101736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).