N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine

C13H16N4 — CID 103353871

IUPACN-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
SMILESNC1(CNc2cnnc3ccccc23)CCC1
InChIInChI=1S/C13H16N4/c14-13(6-3-7-13)9-15-12-8-16-17-11-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7,9,14H2,(H,15,17)
InChIKeyNAZNJXHDUSKSLJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.92
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine

N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine (PubChem CID 103353871) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
PubChem CID103353871
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
SMILESNC1(CNc2cnnc3ccccc23)CCC1
InChIInChI=1S/C13H16N4/c14-13(6-3-7-13)9-15-12-8-16-17-11-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7,9,14H2,(H,15,17)
InChIKeyNAZNJXHDUSKSLJ-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine 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 N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine (CID 103353871) is N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine is NC1(CNc2cnnc3ccccc23)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine?
The InChIKey is NAZNJXHDUSKSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13(6-3-7-13)9-15-12-8-16-17-11-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7,9,14H2,(H,15,17).
What are the key properties of N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine?
N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine is sourced from PubChem (CID 103353871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).