1,5-diaminocyclopenta[c]azepine-7-carbonitrile

C10H8N4 — CID 172544419

IUPAC1,5-diaminocyclopenta[c]azepine-7-carbonitrile
SMILESN#Cc1cc2c(N)ccnc(N)c-2c1
InChIInChI=1S/C10H8N4/c11-5-6-3-7-8(4-6)10(13)14-2-1-9(7)12/h1-4H,12H2,(H2,13,14)
InChIKeyCECXGOVHPGFTEU-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.22
Rot. Bonds

About 1,5-diaminocyclopenta[c]azepine-7-carbonitrile

1,5-diaminocyclopenta[c]azepine-7-carbonitrile (PubChem CID 172544419) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,5-diaminocyclopenta[c]azepine-7-carbonitrile.

Molecular Properties

Compound Name1,5-diaminocyclopenta[c]azepine-7-carbonitrile
PubChem CID172544419
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1,5-diaminocyclopenta[c]azepine-7-carbonitrile
SMILESN#Cc1cc2c(N)ccnc(N)c-2c1
InChIInChI=1S/C10H8N4/c11-5-6-3-7-8(4-6)10(13)14-2-1-9(7)12/h1-4H,12H2,(H2,13,14)
InChIKeyCECXGOVHPGFTEU-UHFFFAOYSA-N
XLogP1.22
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-diaminocyclopenta[c]azepine-7-carbonitrile?
The IUPAC name of 1,5-diaminocyclopenta[c]azepine-7-carbonitrile (CID 172544419) is 1,5-diaminocyclopenta[c]azepine-7-carbonitrile.
What is the SMILES notation for 1,5-diaminocyclopenta[c]azepine-7-carbonitrile?
The canonical SMILES for 1,5-diaminocyclopenta[c]azepine-7-carbonitrile is N#Cc1cc2c(N)ccnc(N)c-2c1.
What is the InChIKey of 1,5-diaminocyclopenta[c]azepine-7-carbonitrile?
The InChIKey is CECXGOVHPGFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-5-6-3-7-8(4-6)10(13)14-2-1-9(7)12/h1-4H,12H2,(H2,13,14).
What are the key properties of 1,5-diaminocyclopenta[c]azepine-7-carbonitrile?
1,5-diaminocyclopenta[c]azepine-7-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminocyclopenta[c]azepine-7-carbonitrile is sourced from PubChem (CID 172544419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).