(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C7H13N5 — CID 107058707

IUPAC(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCn1nnc(C/C=C/CCN)n1
InChIInChI=1S/C7H13N5/c1-12-10-7(9-11-12)5-3-2-4-6-8/h2-3H,4-6,8H2,1H3/b3-2+
InChIKeyHGLOUSSVFZYKHF-NSCUHMNNSA-N
MW167.22 g/mol
LogP-0.34
Rot. Bonds4

About (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058707) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058707
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCn1nnc(C/C=C/CCN)n1
InChIInChI=1S/C7H13N5/c1-12-10-7(9-11-12)5-3-2-4-6-8/h2-3H,4-6,8H2,1H3/b3-2+
InChIKeyHGLOUSSVFZYKHF-NSCUHMNNSA-N
XLogP-0.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058707) is (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is Cn1nnc(C/C=C/CCN)n1.
What is the InChIKey of (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is HGLOUSSVFZYKHF-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13N5/c1-12-10-7(9-11-12)5-3-2-4-6-8/h2-3H,4-6,8H2,1H3/b3-2+.
What are the key properties of (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 167.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).