1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol

C7H10N4O — CID 135747197

IUPAC1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol
SMILESCn1ncc2c1NC=NCC2O
InChIInChI=1S/C7H10N4O/c1-11-7-5(2-10-11)6(12)3-8-4-9-7/h2,4,6,12H,3H2,1H3,(H,8,9)
InChIKeyAHAQTMORPIXIHY-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.09
Rot. Bonds

About 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol

1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol (PubChem CID 135747197) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol.

Molecular Properties

Compound Name1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol
PubChem CID135747197
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol
SMILESCn1ncc2c1NC=NCC2O
InChIInChI=1S/C7H10N4O/c1-11-7-5(2-10-11)6(12)3-8-4-9-7/h2,4,6,12H,3H2,1H3,(H,8,9)
InChIKeyAHAQTMORPIXIHY-UHFFFAOYSA-N
XLogP-0.09
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
CID 118119734
1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 69109052
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-7-ol
CID 175870854
(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067861
(4S)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773729
(4R)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 79583895
trans-(1R,2S)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 91647637
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028
1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
CID 79583940
3-(5-bromo-1-methylpyrazol-4-yl)morpholine
CID 84803089

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol?
The IUPAC name of 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol (CID 135747197) is 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol.
What is the SMILES notation for 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol?
The canonical SMILES for 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol is Cn1ncc2c1NC=NCC2O.
What is the InChIKey of 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol?
The InChIKey is AHAQTMORPIXIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11-7-5(2-10-11)6(12)3-8-4-9-7/h2,4,6,12H,3H2,1H3,(H,8,9).
What are the key properties of 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol?
1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol has a molecular weight of 166.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol is sourced from PubChem (CID 135747197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).