azepan-2-yl-(2-methyltetrazol-5-yl)methanone

C9H15N5O — CID 130993638

IUPACazepan-2-yl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CCCCCN2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)8(15)7-5-3-2-4-6-10-7/h7,10H,2-6H2,1H3
InChIKeyZKYRKGKPAZCTDY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.08
Rot. Bonds2

About azepan-2-yl-(2-methyltetrazol-5-yl)methanone

azepan-2-yl-(2-methyltetrazol-5-yl)methanone (PubChem CID 130993638) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is azepan-2-yl-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(2-methyltetrazol-5-yl)methanone
PubChem CID130993638
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Nameazepan-2-yl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CCCCCN2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)8(15)7-5-3-2-4-6-10-7/h7,10H,2-6H2,1H3
InChIKeyZKYRKGKPAZCTDY-UHFFFAOYSA-N
XLogP-0.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Methyltetrazol-5-yl)-1-piperidin-2-ylethanone
CID 107061727
1-(Azepan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062172
(2-Methyltetrazol-5-yl)-piperidin-2-ylmethanone
CID 130877919

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of azepan-2-yl-(2-methyltetrazol-5-yl)methanone (CID 130993638) is azepan-2-yl-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for azepan-2-yl-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for azepan-2-yl-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2CCCCCN2)n1.
What is the InChIKey of azepan-2-yl-(2-methyltetrazol-5-yl)methanone?
The InChIKey is ZKYRKGKPAZCTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-12-9(11-13-14)8(15)7-5-3-2-4-6-10-7/h7,10H,2-6H2,1H3.
What are the key properties of azepan-2-yl-(2-methyltetrazol-5-yl)methanone?
azepan-2-yl-(2-methyltetrazol-5-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130993638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).