1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone

C10H17N5O — CID 110498346

IUPAC1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
SMILESCn1nnnc1CC(=O)N1CCCCCC1
InChIInChI=1S/C10H17N5O/c1-14-9(11-12-13-14)8-10(16)15-6-4-2-3-5-7-15/h2-8H2,1H3
InChIKeyGUCLCSHHSKRZDN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.16
Rot. Bonds2

About 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone

1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone (PubChem CID 110498346) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
PubChem CID110498346
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
SMILESCn1nnnc1CC(=O)N1CCCCCC1
InChIInChI=1S/C10H17N5O/c1-14-9(11-12-13-14)8-10(16)15-6-4-2-3-5-7-15/h2-8H2,1H3
InChIKeyGUCLCSHHSKRZDN-UHFFFAOYSA-N
XLogP0.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498361
1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498375
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830515
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid
CID 67060792
1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 91945606
ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
CID 91945458
[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
N-butyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110496861
1-(azepan-1-yl)propan-1-one
CID 3613534

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone (CID 110498346) is 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone is Cn1nnnc1CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
The InChIKey is GUCLCSHHSKRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-14-9(11-12-13-14)8-10(16)15-6-4-2-3-5-7-15/h2-8H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(1-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 110498346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).