(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

C6H8N4O — CID 22808437

IUPAC(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
SMILESO[C@@H]1CN=CNc2nc[nH]c21
InChIInChI=1S/C6H8N4O/c11-4-1-7-2-9-6-5(4)8-3-10-6/h2-4,11H,1H2,(H,7,9)(H,8,10)/t4-/m1/s1
InChIKeyYFIDCUXYXQUPSM-SCSAIBSYSA-N
MW152.16 g/mol
LogP-0.10
Rot. Bonds

About (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (PubChem CID 22808437) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol.

Molecular Properties

Compound Name(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
PubChem CID22808437
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
SMILESO[C@@H]1CN=CNc2nc[nH]c21
InChIInChI=1S/C6H8N4O/c11-4-1-7-2-9-6-5(4)8-3-10-6/h2-4,11H,1H2,(H,7,9)(H,8,10)/t4-/m1/s1
InChIKeyYFIDCUXYXQUPSM-SCSAIBSYSA-N
XLogP-0.10
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol?
The IUPAC name of (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (CID 22808437) is (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol.
What is the SMILES notation for (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol?
The canonical SMILES for (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is O[C@@H]1CN=CNc2nc[nH]c21.
What is the InChIKey of (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol?
The InChIKey is YFIDCUXYXQUPSM-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-4-1-7-2-9-6-5(4)8-3-10-6/h2-4,11H,1H2,(H,7,9)(H,8,10)/t4-/m1/s1.
What are the key properties of (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol?
(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol has a molecular weight of 152.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is sourced from PubChem (CID 22808437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).