5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole

C8H11N3 — CID 171541880

IUPAC5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(C2CC2)n(C)n1
InChIInChI=1S/C8H11N3/c1-3-7-9-8(6-4-5-6)11(2)10-7/h3,6H,1,4-5H2,2H3
InChIKeyMTEDCUJVSZMCBK-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.34
Rot. Bonds2

About 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole

5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole (PubChem CID 171541880) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole
PubChem CID171541880
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(C2CC2)n(C)n1
InChIInChI=1S/C8H11N3/c1-3-7-9-8(6-4-5-6)11(2)10-7/h3,6H,1,4-5H2,2H3
InChIKeyMTEDCUJVSZMCBK-UHFFFAOYSA-N
XLogP1.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 18989691
3-Cyclopropyl-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204445
1,3-Dimethyl-5-(2-methylpropyl)-1,2,4-triazole
CID 59134695
3-Tert-butyl-5-cyclopropyl-1-methyl-1,2,4-triazole
CID 59539705
3-Cyclopropyl-5-methyl-1-propan-2-yl-1,2,4-triazole
CID 68355490
3,5-Dicyclopropyl-1-methyl-1,2,4-triazole
CID 69055883
3,5-Bis(but-3-enyl)-1-methyl-1,2,4-triazole
CID 70275704
5-Cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole
CID 89019047
5-Cyclopropyl-1,3-dimethyl-1,2,4-triazole
CID 89185720
1-(Cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90017322
1-(Cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017359
3-Ethyl-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 123886958

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole (CID 171541880) is 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole is C=Cc1nc(C2CC2)n(C)n1.
What is the InChIKey of 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole?
The InChIKey is MTEDCUJVSZMCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-7-9-8(6-4-5-6)11(2)10-7/h3,6H,1,4-5H2,2H3.
What are the key properties of 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole?
5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 171541880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).