1-benzyl-4-cyclopropyltriazole

C12H13N3 — CID 102434615

IUPAC1-benzyl-4-cyclopropyltriazole
SMILESc1ccc(Cn2cc(C3CC3)nn2)cc1
InChIInChI=1S/C12H13N3/c1-2-4-10(5-3-1)8-15-9-12(13-14-15)11-6-7-11/h1-5,9,11H,6-8H2
InChIKeyLLTPSKKYXLMCEX-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.20
Rot. Bonds3

About 1-benzyl-4-cyclopropyltriazole

1-benzyl-4-cyclopropyltriazole (PubChem CID 102434615) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-benzyl-4-cyclopropyltriazole.

Molecular Properties

Compound Name1-benzyl-4-cyclopropyltriazole
PubChem CID102434615
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-benzyl-4-cyclopropyltriazole
SMILESc1ccc(Cn2cc(C3CC3)nn2)cc1
InChIInChI=1S/C12H13N3/c1-2-4-10(5-3-1)8-15-9-12(13-14-15)11-6-7-11/h1-5,9,11H,6-8H2
InChIKeyLLTPSKKYXLMCEX-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
CID 56949927
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
[4-[(4-Phenyltriazol-1-yl)methyl]phenyl]boronic acid
CID 44518171
1-[4-[(S)-(benzylamino)-cyclohexylmethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 69925414
4-[(4-Phenyl-1h-1,2,3-triazol-1-yl)methyl]benzonitrile
CID 11276968
1-Benzyl-4-phenyl-1,2,3-triazole
CID 11310894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclopropyltriazole?
The IUPAC name of 1-benzyl-4-cyclopropyltriazole (CID 102434615) is 1-benzyl-4-cyclopropyltriazole.
What is the SMILES notation for 1-benzyl-4-cyclopropyltriazole?
The canonical SMILES for 1-benzyl-4-cyclopropyltriazole is c1ccc(Cn2cc(C3CC3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-cyclopropyltriazole?
The InChIKey is LLTPSKKYXLMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-10(5-3-1)8-15-9-12(13-14-15)11-6-7-11/h1-5,9,11H,6-8H2.
What are the key properties of 1-benzyl-4-cyclopropyltriazole?
1-benzyl-4-cyclopropyltriazole has a molecular weight of 199.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclopropyltriazole is sourced from PubChem (CID 102434615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).