(2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C11H16N4O — CID 127625029

IUPAC(2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC1C1CCC1
InChIInChI=1S/C11H16N4O/c16-11(10-12-7-13-14-10)15-6-2-5-9(15)8-3-1-4-8/h7-9H,1-6H2,(H,12,13,14)
InChIKeyFCVHBTLPBQPHFJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.21
Rot. Bonds2

About (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 127625029) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID127625029
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC1C1CCC1
InChIInChI=1S/C11H16N4O/c16-11(10-12-7-13-14-10)15-6-2-5-9(15)8-3-1-4-8/h7-9H,1-6H2,(H,12,13,14)
InChIKeyFCVHBTLPBQPHFJ-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 63653304
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689002
(4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 57445793
1-[(2R,3aS,9aR)-2-benzyl-4-(1H-1,2,4-triazole-5-carbonyl)-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]ethanone
CID 110136823
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-chloropyrazin-2-yl)methanone
CID 107257889
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-aminopyrazin-2-yl)methanone
CID 113381911
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-bromo-2-pyridinyl)methanone
CID 65320580
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-1H-pyrazol-5-yl)methanone
CID 64524820
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 103440862
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615113
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-sulfanylphenyl)methanone
CID 107031199

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 127625029) is (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCC1C1CCC1.
What is the InChIKey of (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is FCVHBTLPBQPHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(10-12-7-13-14-10)15-6-2-5-9(15)8-3-1-4-8/h7-9H,1-6H2,(H,12,13,14).
What are the key properties of (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 220.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 127625029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).