6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine

C8H11N7 — CID 135939021

IUPAC6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
SMILESCC/N=c1\nc(N)c2nc[nH]c2c(N)n1
InChIInChI=1S/C8H11N7/c1-2-11-8-14-6(9)4-5(7(10)15-8)13-3-12-4/h3H,2H2,1H3,(H,12,13)(H4,9,10,11,14,15)
InChIKeyXEMQVBAZGNEOSI-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.56
Rot. Bonds1

About 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine

6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine (PubChem CID 135939021) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine.

Molecular Properties

Compound Name6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
PubChem CID135939021
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
SMILESCC/N=c1\nc(N)c2nc[nH]c2c(N)n1
InChIInChI=1S/C8H11N7/c1-2-11-8-14-6(9)4-5(7(10)15-8)13-3-12-4/h3H,2H2,1H3,(H,12,13)(H4,9,10,11,14,15)
InChIKeyXEMQVBAZGNEOSI-UHFFFAOYSA-N
XLogP-0.56
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
The IUPAC name of 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine (CID 135939021) is 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine.
What is the SMILES notation for 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
The canonical SMILES for 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine is CC/N=c1\nc(N)c2nc[nH]c2c(N)n1.
What is the InChIKey of 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
The InChIKey is XEMQVBAZGNEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-11-8-14-6(9)4-5(7(10)15-8)13-3-12-4/h3H,2H2,1H3,(H,12,13)(H4,9,10,11,14,15).
What are the key properties of 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine has a molecular weight of 205.22 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine is sourced from PubChem (CID 135939021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).