1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile

C12H13N3 — CID 145349924

IUPAC1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
SMILESN#Cc1nn(C23CC2C3)c2c1CCCC2
InChIInChI=1S/C12H13N3/c13-7-10-9-3-1-2-4-11(9)15(14-10)12-5-8(12)6-12/h8H,1-6H2
InChIKeyHURXALIWJZMUIX-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.75
Rot. Bonds1

About 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile

1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile (PubChem CID 145349924) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
PubChem CID145349924
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
SMILESN#Cc1nn(C23CC2C3)c2c1CCCC2
InChIInChI=1S/C12H13N3/c13-7-10-9-3-1-2-4-11(9)15(14-10)12-5-8(12)6-12/h8H,1-6H2
InChIKeyHURXALIWJZMUIX-UHFFFAOYSA-N
XLogP1.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
1-(3-bromo-4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
CID 170619632
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984416
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105493457
1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105499027
3-iodo-1-methyl-4,5,6,7-tetrahydroindazole
CID 71280279
3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 166796847
1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile
CID 134071697
1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105499028
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105456666

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile?
The IUPAC name of 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile (CID 145349924) is 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile.
What is the SMILES notation for 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile?
The canonical SMILES for 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile is N#Cc1nn(C23CC2C3)c2c1CCCC2.
What is the InChIKey of 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile?
The InChIKey is HURXALIWJZMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-7-10-9-3-1-2-4-11(9)15(14-10)12-5-8(12)6-12/h8H,1-6H2.
What are the key properties of 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile?
1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile is sourced from PubChem (CID 145349924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).