1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine

C7H12N4 — CID 136965948

IUPAC1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine
SMILESCn1ncc2c1NCCNC2
InChIInChI=1S/C7H12N4/c1-11-7-6(5-10-11)4-8-2-3-9-7/h5,8-9H,2-4H2,1H3
InChIKeyLPZLJYJCSBBHSA-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.06
Rot. Bonds

About 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine

1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine (PubChem CID 136965948) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine
PubChem CID136965948
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine
SMILESCn1ncc2c1NCCNC2
InChIInChI=1S/C7H12N4/c1-11-7-6(5-10-11)4-8-2-3-9-7/h5,8-9H,2-4H2,1H3
InChIKeyLPZLJYJCSBBHSA-UHFFFAOYSA-N
XLogP-0.06
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
CID 137226289
1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 135736035
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 172748797
7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 136817262
7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 136817259
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-7-ol
CID 175870854
(6E,7E)-6-[(Z)-but-2-enylidene]-7-ethylidene-1-methyl-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine
CID 143188678
7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine
CID 143188644
1-methyl-5,7-dihydro-4H-pyrazolo[4,5-c]pyridin-6-one
CID 130251334
1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
CID 96617702
(4S)-1-methyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067861
N,N-dimethyl-2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanamine
CID 82586331

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine (CID 136965948) is 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine is Cn1ncc2c1NCCNC2.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine?
The InChIKey is LPZLJYJCSBBHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-7-6(5-10-11)4-8-2-3-9-7/h5,8-9H,2-4H2,1H3.
What are the key properties of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine?
1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine has a molecular weight of 152.20 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine is sourced from PubChem (CID 136965948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).