3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole

C8H11N3 — CID 58549923

IUPAC3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole
SMILESC=CCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H11N3/c1-2-3-7-9-8(11-10-7)6-4-5-6/h2,6H,1,3-5H2,(H,9,10,11)
InChIKeyCNWFZZBAPDSZDQ-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.41
Rot. Bonds3

About 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole

3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole (PubChem CID 58549923) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole
PubChem CID58549923
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole
SMILESC=CCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H11N3/c1-2-3-7-9-8(11-10-7)6-4-5-6/h2,6H,1,3-5H2,(H,9,10,11)
InChIKeyCNWFZZBAPDSZDQ-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dicyclopropyl-1H-1,2,4-triazole hydrochloride
CID 71756638
5-but-3-enyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 102108005
5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
CID 130561715
3-cyclopropyl-5-methyl-4H-1,2,4-triazole
CID 22614882
5-butyl-3-cyclopropyl-1H-1,2,4-triazole
CID 22627055
3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole
CID 57629494
3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 58124514
3-cyclopropyl-5-ethyl-1H-1,2,4-triazole
CID 61278534
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311
3-cyclopropyl-5-propyl-1H-1,2,4-triazole
CID 61337322
3,5-dicyclopropyl-1H-1,2,4-triazole
CID 61337728
3-propan-2-yl-5-propyl-1H-1,2,4-triazole
CID 61349001

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole (CID 58549923) is 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole is C=CCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole?
The InChIKey is CNWFZZBAPDSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-3-7-9-8(11-10-7)6-4-5-6/h2,6H,1,3-5H2,(H,9,10,11).
What are the key properties of 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole?
3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole is sourced from PubChem (CID 58549923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).