1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine

C6H8N4 — CID 15375741

IUPAC1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine
SMILESC1=NCCc2[nH]cnc2N1
InChIInChI=1S/C6H8N4/c1-2-7-3-9-6-5(1)8-4-10-6/h3-4H,1-2H2,(H,7,9)(H,8,10)
InChIKeyZPOIHVRMDOVOAX-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.41
Rot. Bonds

About 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine

1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine (PubChem CID 15375741) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine.

Molecular Properties

Compound Name1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine
PubChem CID15375741
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine
SMILESC1=NCCc2[nH]cnc2N1
InChIInChI=1S/C6H8N4/c1-2-7-3-9-6-5(1)8-4-10-6/h3-4H,1-2H2,(H,7,9)(H,8,10)
InChIKeyZPOIHVRMDOVOAX-UHFFFAOYSA-N
XLogP0.41
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine?
The IUPAC name of 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine (CID 15375741) is 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine.
What is the SMILES notation for 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine?
The canonical SMILES for 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine is C1=NCCc2[nH]cnc2N1.
What is the InChIKey of 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine?
The InChIKey is ZPOIHVRMDOVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-7-3-9-6-5(1)8-4-10-6/h3-4H,1-2H2,(H,7,9)(H,8,10).
What are the key properties of 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine?
1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine has a molecular weight of 136.16 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine is sourced from PubChem (CID 15375741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).