7-amino-1-pyrazin-2-ylheptan-1-one

C11H17N3O — CID 116551534

IUPAC7-amino-1-pyrazin-2-ylheptan-1-one
SMILESNCCCCCCC(=O)c1cnccn1
InChIInChI=1S/C11H17N3O/c12-6-4-2-1-3-5-11(15)10-9-13-7-8-14-10/h7-9H,1-6,12H2
InChIKeyNSKFSZKFNSHRKD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.57
Rot. Bonds7

About 7-amino-1-pyrazin-2-ylheptan-1-one

7-amino-1-pyrazin-2-ylheptan-1-one (PubChem CID 116551534) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 7-amino-1-pyrazin-2-ylheptan-1-one.

Molecular Properties

Compound Name7-amino-1-pyrazin-2-ylheptan-1-one
PubChem CID116551534
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name7-amino-1-pyrazin-2-ylheptan-1-one
SMILESNCCCCCCC(=O)c1cnccn1
InChIInChI=1S/C11H17N3O/c12-6-4-2-1-3-5-11(15)10-9-13-7-8-14-10/h7-9H,1-6,12H2
InChIKeyNSKFSZKFNSHRKD-UHFFFAOYSA-N
XLogP1.57
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-1-pyrazin-2-ylheptan-1-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

4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 70926051
1-pyrazin-2-ylhexan-1-one
CID 22507174
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 65098159
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359
2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
CID 116599519
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
CID 103147034

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-pyrazin-2-ylheptan-1-one?
The IUPAC name of 7-amino-1-pyrazin-2-ylheptan-1-one (CID 116551534) is 7-amino-1-pyrazin-2-ylheptan-1-one.
What is the SMILES notation for 7-amino-1-pyrazin-2-ylheptan-1-one?
The canonical SMILES for 7-amino-1-pyrazin-2-ylheptan-1-one is NCCCCCCC(=O)c1cnccn1.
What is the InChIKey of 7-amino-1-pyrazin-2-ylheptan-1-one?
The InChIKey is NSKFSZKFNSHRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-4-2-1-3-5-11(15)10-9-13-7-8-14-10/h7-9H,1-6,12H2.
What are the key properties of 7-amino-1-pyrazin-2-ylheptan-1-one?
7-amino-1-pyrazin-2-ylheptan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-pyrazin-2-ylheptan-1-one is sourced from PubChem (CID 116551534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).