1-aza-3-boranuidacyclohexa-2,4,6-triene

C4H5BN- — CID 59583184

IUPAC1-aza-3-boranuidacyclohexa-2,4,6-triene
SMILES[bH-]1cccnc1
InChIInChI=1S/C4H5BN/c1-2-5-4-6-3-1/h1-5H/q-1
InChIKeyUSBKBYJIRFLTFD-UHFFFAOYSA-N
MW77.90 g/mol
LogP0.15
Rot. Bonds

About 1-aza-3-boranuidacyclohexa-2,4,6-triene

1-aza-3-boranuidacyclohexa-2,4,6-triene (PubChem CID 59583184) has the molecular formula C4H5BN- and a molecular weight of 77.90 g/mol. Its IUPAC name is 1-aza-3-boranuidacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name1-aza-3-boranuidacyclohexa-2,4,6-triene
PubChem CID59583184
Molecular FormulaC4H5BN-
Molecular Weight77.90 g/mol
Exact Mass78.05
IUPAC Name1-aza-3-boranuidacyclohexa-2,4,6-triene
SMILES[bH-]1cccnc1
InChIInChI=1S/C4H5BN/c1-2-5-4-6-3-1/h1-5H/q-1
InChIKeyUSBKBYJIRFLTFD-UHFFFAOYSA-N
XLogP0.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.90
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
CID 164667678
(Prop-2-enylideneamino)methylidenetungsten
CID 58828846
1-Azonia-3-boranuidacyclohexa-2,4,6-triene
CID 59583183
(Prop-2-enylideneamino)methylidenevanadium
CID 60064846
Methylidene(prop-2-enylidene)azanium
CID 85679722
2,3-Dihydroazaborinine
CID 123794338
CID 162267030
CID 162267030
Methanidylidene(prop-2-enylidene)azanium
CID 57515107
(Prop-2-enylideneamino)methylidenetungsten
CID 58828847
(Prop-2-enylideneamino)methylidenevanadium
CID 60064847
Prop-2-enylidene(prop-2-enylidene)azanium
CID 101254592
Prop-2-enylidene(prop-2-enylidene)azanium
CID 136872448

Frequently Asked Questions

What is the IUPAC name of 1-aza-3-boranuidacyclohexa-2,4,6-triene?
The IUPAC name of 1-aza-3-boranuidacyclohexa-2,4,6-triene (CID 59583184) is 1-aza-3-boranuidacyclohexa-2,4,6-triene.
What is the SMILES notation for 1-aza-3-boranuidacyclohexa-2,4,6-triene?
The canonical SMILES for 1-aza-3-boranuidacyclohexa-2,4,6-triene is [bH-]1cccnc1.
What is the InChIKey of 1-aza-3-boranuidacyclohexa-2,4,6-triene?
The InChIKey is USBKBYJIRFLTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BN/c1-2-5-4-6-3-1/h1-5H/q-1.
What are the key properties of 1-aza-3-boranuidacyclohexa-2,4,6-triene?
1-aza-3-boranuidacyclohexa-2,4,6-triene has a molecular weight of 77.90 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aza-3-boranuidacyclohexa-2,4,6-triene is sourced from PubChem (CID 59583184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).