(4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane

C9H15N5 — CID 107058896

IUPAC(4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane
SMILESCn1nnc(/C=C2/CCCNCC2)n1
InChIInChI=1S/C9H15N5/c1-14-12-9(11-13-14)7-8-3-2-5-10-6-4-8/h7,10H,2-6H2,1H3/b8-7-
InChIKeyIUHFXFDFRVBJBK-FPLPWBNLSA-N
MW193.25 g/mol
LogP0.37
Rot. Bonds1

About (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane

(4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane (PubChem CID 107058896) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane.

Molecular Properties

Compound Name(4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane
PubChem CID107058896
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name(4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane
SMILESCn1nnc(/C=C2/CCCNCC2)n1
InChIInChI=1S/C9H15N5/c1-14-12-9(11-13-14)7-8-3-2-5-10-6-4-8/h7,10H,2-6H2,1H3/b8-7-
InChIKeyIUHFXFDFRVBJBK-FPLPWBNLSA-N
XLogP0.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane 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 (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane?
The IUPAC name of (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane (CID 107058896) is (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane.
What is the SMILES notation for (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane?
The canonical SMILES for (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane is Cn1nnc(/C=C2/CCCNCC2)n1.
What is the InChIKey of (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane?
The InChIKey is IUHFXFDFRVBJBK-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H15N5/c1-14-12-9(11-13-14)7-8-3-2-5-10-6-4-8/h7,10H,2-6H2,1H3/b8-7-.
What are the key properties of (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane?
(4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane has a molecular weight of 193.25 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methyltetrazol-5-yl)methylidene]azepane is sourced from PubChem (CID 107058896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).