1-(1-bicyclo[1.1.1]pentanyl)triazole

C7H9N3 — CID 162720211

IUPAC1-(1-bicyclo[1.1.1]pentanyl)triazole
SMILESc1cn(C23CC(C2)C3)nn1
InChIInChI=1S/C7H9N3/c1-2-10(9-8-1)7-3-6(4-7)5-7/h1-2,6H,3-5H2
InChIKeyVWOONBUSDDFNSR-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.79
Rot. Bonds1

About 1-(1-bicyclo[1.1.1]pentanyl)triazole

1-(1-bicyclo[1.1.1]pentanyl)triazole (PubChem CID 162720211) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)triazole.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)triazole
PubChem CID162720211
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)triazole
SMILESc1cn(C23CC(C2)C3)nn1
InChIInChI=1S/C7H9N3/c1-2-10(9-8-1)7-3-6(4-7)5-7/h1-2,6H,3-5H2
InChIKeyVWOONBUSDDFNSR-UHFFFAOYSA-N
XLogP0.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(methoxymethyl)cyclopropyl]triazole
CID 164913767
1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole
CID 135192796
N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155963268
2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
CID 113375264
[4,4-bis(hydroxymethyl)-2-methylpyrrolidin-1-yl]-[1-(triazol-1-yl)cyclopropyl]methanone
CID 154855509
1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine
CID 147137727
1-(triazol-1-ylmethyl)cyclopropan-1-ol
CID 84648394
5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 175726578
3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone
CID 166259597
1-[(3,5-dichlorophenyl)methyl]triazole
CID 167791841
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
triazol-1-ylmethanol
CID 15568557

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)triazole?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)triazole (CID 162720211) is 1-(1-bicyclo[1.1.1]pentanyl)triazole.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)triazole?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)triazole is c1cn(C23CC(C2)C3)nn1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)triazole?
The InChIKey is VWOONBUSDDFNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-10(9-8-1)7-3-6(4-7)5-7/h1-2,6H,3-5H2.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)triazole?
1-(1-bicyclo[1.1.1]pentanyl)triazole has a molecular weight of 135.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)triazole is sourced from PubChem (CID 162720211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).