1,9-dihydropyrazolo[1,2-a]diazepine

C8H10N2 — CID 54506915

IUPAC1,9-dihydropyrazolo[1,2-a]diazepine
SMILESC1=CCN2CC=CN2C=C1
InChIInChI=1S/C8H10N2/c1-2-5-9-7-4-8-10(9)6-3-1/h1-5,7H,6,8H2
InChIKeyYGJMWNNIFACQAC-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.12
Rot. Bonds

About 1,9-dihydropyrazolo[1,2-a]diazepine

1,9-dihydropyrazolo[1,2-a]diazepine (PubChem CID 54506915) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,9-dihydropyrazolo[1,2-a]diazepine.

Molecular Properties

Compound Name1,9-dihydropyrazolo[1,2-a]diazepine
PubChem CID54506915
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,9-dihydropyrazolo[1,2-a]diazepine
SMILESC1=CCN2CC=CN2C=C1
InChIInChI=1S/C8H10N2/c1-2-5-9-7-4-8-10(9)6-3-1/h1-5,7H,6,8H2
InChIKeyYGJMWNNIFACQAC-UHFFFAOYSA-N
XLogP1.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydropyrazolo[1,2-a]diazepine?
The IUPAC name of 1,9-dihydropyrazolo[1,2-a]diazepine (CID 54506915) is 1,9-dihydropyrazolo[1,2-a]diazepine.
What is the SMILES notation for 1,9-dihydropyrazolo[1,2-a]diazepine?
The canonical SMILES for 1,9-dihydropyrazolo[1,2-a]diazepine is C1=CCN2CC=CN2C=C1.
What is the InChIKey of 1,9-dihydropyrazolo[1,2-a]diazepine?
The InChIKey is YGJMWNNIFACQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-5-9-7-4-8-10(9)6-3-1/h1-5,7H,6,8H2.
What are the key properties of 1,9-dihydropyrazolo[1,2-a]diazepine?
1,9-dihydropyrazolo[1,2-a]diazepine has a molecular weight of 134.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydropyrazolo[1,2-a]diazepine is sourced from PubChem (CID 54506915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).