CID 142335085

C5H7BN2 — CID 142335085

IUPAC—
SMILES[B]c1nn(C)cc1C
InChIInChI=1S/C5H7BN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3
InChIKeyVRIYPKVMNMQXMB-UHFFFAOYSA-N
MW105.94 g/mol
LogP-0.48
Rot. Bonds

About CID 142335085

CID 142335085 (PubChem CID 142335085) has the molecular formula C5H7BN2 and a molecular weight of 105.94 g/mol.

Molecular Properties

Compound NameCID 142335085
PubChem CID142335085
Molecular FormulaC5H7BN2
Molecular Weight105.94 g/mol
Exact Mass106.07
IUPAC Name—
SMILES[B]c1nn(C)cc1C
InChIInChI=1S/C5H7BN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3
InChIKeyVRIYPKVMNMQXMB-UHFFFAOYSA-N
XLogP-0.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.94
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,4-dimethylpyrazol-3-yl)diazene
CID 162540280
(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
CID 130454077
1,4-dimethylpyrazole;1,3,4-trimethylpyrazole
CID 162077924
(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;hydrochloride
CID 146444800
1-(1,4-dimethylpyrazol-3-yl)propan-2-one
CID 82594981
1,4-dimethyl-3-(3-methylbutyl)pyrazole
CID 58990513
CID 142582492
CID 142582492
4-bromo-1,3-dimethylpyrazole
CID 12615416
2-(1,4-dimethylpyrazol-3-yl)oxypyrimidine
CID 157467054
N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine
CID 139378604
1,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 91001245
3-bromo-4-fluoro-1-methylpyrazole
CID 131506344

Frequently Asked Questions

What is the IUPAC name of CID 142335085?
The IUPAC name of CID 142335085 (CID 142335085) is not available.
What is the SMILES notation for CID 142335085?
The canonical SMILES for CID 142335085 is [B]c1nn(C)cc1C.
What is the InChIKey of CID 142335085?
The InChIKey is VRIYPKVMNMQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3.
What are the key properties of CID 142335085?
CID 142335085 has a molecular weight of 105.94 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142335085 is sourced from PubChem (CID 142335085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).