1H-pyrazino[2,3-c]diazepine

C7H6N4 — CID 69350456

IUPAC1H-pyrazino[2,3-c]diazepine
SMILESC1=Cc2nccnc2NN=C1
InChIInChI=1S/C7H6N4/c1-2-6-7(11-10-3-1)9-5-4-8-6/h1-5H,(H,9,11)
InChIKeyVLIHWLHGWSAALE-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.90
Rot. Bonds

About 1H-pyrazino[2,3-c]diazepine

1H-pyrazino[2,3-c]diazepine (PubChem CID 69350456) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-pyrazino[2,3-c]diazepine.

Molecular Properties

Compound Name1H-pyrazino[2,3-c]diazepine
PubChem CID69350456
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name1H-pyrazino[2,3-c]diazepine
SMILESC1=Cc2nccnc2NN=C1
InChIInChI=1S/C7H6N4/c1-2-6-7(11-10-3-1)9-5-4-8-6/h1-5H,(H,9,11)
InChIKeyVLIHWLHGWSAALE-UHFFFAOYSA-N
XLogP0.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine
CID 67990430
5H-pyrazino[2,3-b]azepine
CID 69349938
6-Methyl-1,2-dihydropyrazino[2,3-c]pyridazine
CID 89392047
5-[(E)-prop-1-enyl]pyrazin-2-amine
CID 118255891
1,2-Dihydropyrazino[2,3-c]pyridazine
CID 124185068
N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide
CID 135190039
5-methyl-6-[(Z)-pent-1-enyl]pyrazin-2-amine
CID 144855580
3-amino-6-[(Z)-prop-1-enyl]pyrazine-2-carbonitrile
CID 156106704
3-amino-6-[(E)-prop-1-enyl]pyrazine-2-carbonitrile
CID 156106748
5-ethenyl-6-[(Z)-prop-1-enyl]pyrazin-2-amine
CID 163686510
3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine
CID 165160309
3-isocyano-5-[(E)-prop-1-enyl]pyrazin-2-amine
CID 165160317

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazino[2,3-c]diazepine?
The IUPAC name of 1H-pyrazino[2,3-c]diazepine (CID 69350456) is 1H-pyrazino[2,3-c]diazepine.
What is the SMILES notation for 1H-pyrazino[2,3-c]diazepine?
The canonical SMILES for 1H-pyrazino[2,3-c]diazepine is C1=Cc2nccnc2NN=C1.
What is the InChIKey of 1H-pyrazino[2,3-c]diazepine?
The InChIKey is VLIHWLHGWSAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-6-7(11-10-3-1)9-5-4-8-6/h1-5H,(H,9,11).
What are the key properties of 1H-pyrazino[2,3-c]diazepine?
1H-pyrazino[2,3-c]diazepine has a molecular weight of 146.15 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazino[2,3-c]diazepine is sourced from PubChem (CID 69350456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).