4-(cyclopenten-1-yl)-2H-triazole

C7H9N3 — CID 175787968

IUPAC4-(cyclopenten-1-yl)-2H-triazole
SMILESC1=C(c2cn[nH]n2)CCC1
InChIInChI=1S/C7H9N3/c1-2-4-6(3-1)7-5-8-10-9-7/h3,5H,1-2,4H2,(H,8,9,10)
InChIKeyQVEIZAVJCWRYET-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.37
Rot. Bonds1

About 4-(cyclopenten-1-yl)-2H-triazole

4-(cyclopenten-1-yl)-2H-triazole (PubChem CID 175787968) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-2H-triazole.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-2H-triazole
PubChem CID175787968
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-(cyclopenten-1-yl)-2H-triazole
SMILESC1=C(c2cn[nH]n2)CCC1
InChIInChI=1S/C7H9N3/c1-2-4-6(3-1)7-5-8-10-9-7/h3,5H,1-2,4H2,(H,8,9,10)
InChIKeyQVEIZAVJCWRYET-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70981813
3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
CID 69182582
[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
CID 106649357
6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
CID 70980497
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-2H-triazole?
The IUPAC name of 4-(cyclopenten-1-yl)-2H-triazole (CID 175787968) is 4-(cyclopenten-1-yl)-2H-triazole.
What is the SMILES notation for 4-(cyclopenten-1-yl)-2H-triazole?
The canonical SMILES for 4-(cyclopenten-1-yl)-2H-triazole is C1=C(c2cn[nH]n2)CCC1.
What is the InChIKey of 4-(cyclopenten-1-yl)-2H-triazole?
The InChIKey is QVEIZAVJCWRYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-4-6(3-1)7-5-8-10-9-7/h3,5H,1-2,4H2,(H,8,9,10).
What are the key properties of 4-(cyclopenten-1-yl)-2H-triazole?
4-(cyclopenten-1-yl)-2H-triazole has a molecular weight of 135.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-2H-triazole is sourced from PubChem (CID 175787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).