2H-3,1-benzoselenazin-2-amine

C8H8N2Se — CID 139266837

IUPAC2H-3,1-benzoselenazin-2-amine
SMILESNC1N=c2ccccc2=C[Se]1
InChIInChI=1S/C8H8N2Se/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-5,8H,9H2
InChIKeyWWJSQQDUVXJZAW-UHFFFAOYSA-N
MW211.13 g/mol
LogP-1.00
Rot. Bonds

About 2H-3,1-benzoselenazin-2-amine

2H-3,1-benzoselenazin-2-amine (PubChem CID 139266837) has the molecular formula C8H8N2Se and a molecular weight of 211.13 g/mol. Its IUPAC name is 2H-3,1-benzoselenazin-2-amine.

Molecular Properties

Compound Name2H-3,1-benzoselenazin-2-amine
PubChem CID139266837
Molecular FormulaC8H8N2Se
Molecular Weight211.13 g/mol
Exact Mass211.99
IUPAC Name2H-3,1-benzoselenazin-2-amine
SMILESNC1N=c2ccccc2=C[Se]1
InChIInChI=1S/C8H8N2Se/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-5,8H,9H2
InChIKeyWWJSQQDUVXJZAW-UHFFFAOYSA-N
XLogP-1.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroquinolin-1-ium
CID 23126746
2H-Naphtho[2,3-D]imidazole
CID 45078539
3(2H)-Quinolinimine
CID 53424822
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
2,3-Dihydroquinolin-2-amine
CID 89025212
3-N-methylnaphthalene-2,3-diimine
CID 89322444
3H-quinolin-2-imine
CID 101216919
methanamine;N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 141774858
methanamine;1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 145125423
2H-3,1-benzoselenazine
CID 159746479
4-Chloro-2,3-dihydroquinolin-2-amine
CID 163678513
3-deuterio-2H-quinazoline
CID 175982899

Frequently Asked Questions

What is the IUPAC name of 2H-3,1-benzoselenazin-2-amine?
The IUPAC name of 2H-3,1-benzoselenazin-2-amine (CID 139266837) is 2H-3,1-benzoselenazin-2-amine.
What is the SMILES notation for 2H-3,1-benzoselenazin-2-amine?
The canonical SMILES for 2H-3,1-benzoselenazin-2-amine is NC1N=c2ccccc2=C[Se]1.
What is the InChIKey of 2H-3,1-benzoselenazin-2-amine?
The InChIKey is WWJSQQDUVXJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2Se/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-5,8H,9H2.
What are the key properties of 2H-3,1-benzoselenazin-2-amine?
2H-3,1-benzoselenazin-2-amine has a molecular weight of 211.13 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-3,1-benzoselenazin-2-amine is sourced from PubChem (CID 139266837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).