3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine

C7H10N4 — CID 121317437

IUPAC3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
SMILESNC1C=C(n2cncn2)CC1
InChIInChI=1S/C7H10N4/c8-6-1-2-7(3-6)11-5-9-4-10-11/h3-6H,1-2,8H2
InChIKeySYHVDOJVBGTDFC-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.24
Rot. Bonds1

About 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine

3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine (PubChem CID 121317437) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
PubChem CID121317437
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
SMILESNC1C=C(n2cncn2)CC1
InChIInChI=1S/C7H10N4/c8-6-1-2-7(3-6)11-5-9-4-10-11/h3-6H,1-2,8H2
InChIKeySYHVDOJVBGTDFC-UHFFFAOYSA-N
XLogP0.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine (CID 121317437) is 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine is NC1C=C(n2cncn2)CC1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine?
The InChIKey is SYHVDOJVBGTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c8-6-1-2-7(3-6)11-5-9-4-10-11/h3-6H,1-2,8H2.
What are the key properties of 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine?
3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine has a molecular weight of 150.19 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 121317437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).