7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one

C9H17N5O — CID 107061757

IUPAC7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCn1nnc(CC(=O)CCCCCN)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)7-8(15)5-3-2-4-6-10/h2-7,10H2,1H3
InChIKeyFAQPXLMWTMJWEP-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.16
Rot. Bonds7

About 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one

7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one (PubChem CID 107061757) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
PubChem CID107061757
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCn1nnc(CC(=O)CCCCCN)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)7-8(15)5-3-2-4-6-10/h2-7,10H2,1H3
InChIKeyFAQPXLMWTMJWEP-UHFFFAOYSA-N
XLogP-0.16
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-Dodecyltetrazol-5-yl)propanamide
CID 17827316
2-(2-Dodecyltetrazol-5-yl)acetamide
CID 19377685
Ethane;methanamine;5-(2-methyltetrazol-5-yl)pentan-2-one
CID 172238397
(4S)-4-(5-methyltetrazol-2-yl)heptan-2-one
CID 12184978
1-(2-Methyltetrazol-5-yl)hexan-2-one
CID 107047272
1-(2-Methyltetrazol-5-yl)heptan-4-one
CID 107054800
4-Amino-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061764
8-Amino-1-(2-methyltetrazol-5-yl)octan-2-one
CID 107061774
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061789
5-Amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061795
3-Amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061801
3-Amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061817

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
The IUPAC name of 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one (CID 107061757) is 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one.
What is the SMILES notation for 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
The canonical SMILES for 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one is Cn1nnc(CC(=O)CCCCCN)n1.
What is the InChIKey of 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
The InChIKey is FAQPXLMWTMJWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-9(11-13-14)7-8(15)5-3-2-4-6-10/h2-7,10H2,1H3.
What are the key properties of 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-methyltetrazol-5-yl)heptan-2-one is sourced from PubChem (CID 107061757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).