3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

C9H16N6 — CID 13267634

IUPAC3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESC=CCN1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C9H16N6/c1-2-3-14-4-6-15(7-5-14)9-11-8(10)12-13-9/h2H,1,3-7H2,(H3,10,11,12,13)
InChIKeyTUYSLMGVHHOOAB-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.31
Rot. Bonds3

About 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 13267634) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID13267634
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESC=CCN1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C9H16N6/c1-2-3-14-4-6-15(7-5-14)9-11-8(10)12-13-9/h2H,1,3-7H2,(H3,10,11,12,13)
InChIKeyTUYSLMGVHHOOAB-UHFFFAOYSA-N
XLogP-0.31
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (CID 13267634) is 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is C=CCN1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is TUYSLMGVHHOOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-2-3-14-4-6-15(7-5-14)9-11-8(10)12-13-9/h2H,1,3-7H2,(H3,10,11,12,13).
What are the key properties of 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 208.27 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-2-enylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 13267634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).