cyclopenta[e][1,3]diazepin-3-amine

C8H7N3 — CID 154328664

IUPACcyclopenta[e][1,3]diazepin-3-amine
SMILESNc1ncc2cccc-2cn1
InChIInChI=1S/C8H7N3/c9-8-10-4-6-2-1-3-7(6)5-11-8/h1-5H,(H2,9,10,11)
InChIKeyPHAKQDXACWHTLE-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.16
Rot. Bonds

About cyclopenta[e][1,3]diazepin-3-amine

cyclopenta[e][1,3]diazepin-3-amine (PubChem CID 154328664) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cyclopenta[e][1,3]diazepin-3-amine.

Molecular Properties

Compound Namecyclopenta[e][1,3]diazepin-3-amine
PubChem CID154328664
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namecyclopenta[e][1,3]diazepin-3-amine
SMILESNc1ncc2cccc-2cn1
InChIInChI=1S/C8H7N3/c9-8-10-4-6-2-1-3-7(6)5-11-8/h1-5H,(H2,9,10,11)
InChIKeyPHAKQDXACWHTLE-UHFFFAOYSA-N
XLogP1.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopenta[e][1,3]diazepin-3-amine 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

5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine
CID 15505619
5-(2,3-dichlorophenyl)pyrimidin-2-amine
CID 79022346
2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine
CID 172544478
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
5-(2-chlorophenyl)pyrimidin-2-amine
CID 66520129
5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine
CID 39820225
5-naphthalen-2-ylpyrimidin-2-amine
CID 139194225
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
5-imidazo[1,2-a]pyridin-5-ylpyrimidin-2-amine
CID 102626318
bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one;pyrimidin-2-amine
CID 174906802
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702
5-quinolin-2-ylpyrimidin-2-amine
CID 112694944

Frequently Asked Questions

What is the IUPAC name of cyclopenta[e][1,3]diazepin-3-amine?
The IUPAC name of cyclopenta[e][1,3]diazepin-3-amine (CID 154328664) is cyclopenta[e][1,3]diazepin-3-amine.
What is the SMILES notation for cyclopenta[e][1,3]diazepin-3-amine?
The canonical SMILES for cyclopenta[e][1,3]diazepin-3-amine is Nc1ncc2cccc-2cn1.
What is the InChIKey of cyclopenta[e][1,3]diazepin-3-amine?
The InChIKey is PHAKQDXACWHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-10-4-6-2-1-3-7(6)5-11-8/h1-5H,(H2,9,10,11).
What are the key properties of cyclopenta[e][1,3]diazepin-3-amine?
cyclopenta[e][1,3]diazepin-3-amine has a molecular weight of 145.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[e][1,3]diazepin-3-amine is sourced from PubChem (CID 154328664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).