3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

C9H14N4O — CID 10512016

IUPAC3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCCn1cnc2c1NC=NCC2O
InChIInChI=1S/C9H14N4O/c1-2-3-13-6-12-8-7(14)4-10-5-11-9(8)13/h5-7,14H,2-4H2,1H3,(H,10,11)
InChIKeyJHCOBYPCQCXRNY-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.78
Rot. Bonds2

About 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (PubChem CID 10512016) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.

Molecular Properties

Compound Name3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
PubChem CID10512016
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCCn1cnc2c1NC=NCC2O
InChIInChI=1S/C9H14N4O/c1-2-3-13-6-12-8-7(14)4-10-5-11-9(8)13/h5-7,14H,2-4H2,1H3,(H,10,11)
InChIKeyJHCOBYPCQCXRNY-UHFFFAOYSA-N
XLogP0.78
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The IUPAC name of 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (CID 10512016) is 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.
What is the SMILES notation for 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The canonical SMILES for 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is CCCn1cnc2c1NC=NCC2O.
What is the InChIKey of 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The InChIKey is JHCOBYPCQCXRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-13-6-12-8-7(14)4-10-5-11-9(8)13/h5-7,14H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol has a molecular weight of 194.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is sourced from PubChem (CID 10512016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).