1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole

C11H18N4 — CID 84674604

IUPAC1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole
SMILESc1nc(C2CCNC2)n(CC2CCC2)n1
InChIInChI=1S/C11H18N4/c1-2-9(3-1)7-15-11(13-8-14-15)10-4-5-12-6-10/h8-10,12H,1-7H2
InChIKeyGHBLUFDAERBMNU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.16
Rot. Bonds3

About 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole

1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole (PubChem CID 84674604) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole
PubChem CID84674604
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole
SMILESc1nc(C2CCNC2)n(CC2CCC2)n1
InChIInChI=1S/C11H18N4/c1-2-9(3-1)7-15-11(13-8-14-15)10-4-5-12-6-10/h8-10,12H,1-7H2
InChIKeyGHBLUFDAERBMNU-UHFFFAOYSA-N
XLogP1.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
1-benzyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 84692041
1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 84685100
1-(cyclohexylmethyl)-3-(oxan-4-yl)-5-pyrrolidin-3-yl-1,2,4-triazole
CID 74235626
5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62695306
5-pyrrolidin-3-ylpyrimidine
CID 66996535
1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
CID 122240833
5-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82404941

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole?
The IUPAC name of 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole (CID 84674604) is 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole?
The canonical SMILES for 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole is c1nc(C2CCNC2)n(CC2CCC2)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole?
The InChIKey is GHBLUFDAERBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-9(3-1)7-15-11(13-8-14-15)10-4-5-12-6-10/h8-10,12H,1-7H2.
What are the key properties of 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole?
1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole has a molecular weight of 206.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole is sourced from PubChem (CID 84674604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).