CID 163622186

C5H11BN3 — CID 163622186

IUPAC—
SMILESC[B]C1=NNC(C)N1C
InChIInChI=1S/C5H11BN3/c1-4-7-8-5(6-2)9(4)3/h4,7H,1-3H3
InChIKeyUZACKDXYUUQJHF-UHFFFAOYSA-N
MW123.98 g/mol
LogP-0.11
Rot. Bonds1

About CID 163622186

CID 163622186 (PubChem CID 163622186) has the molecular formula C5H11BN3 and a molecular weight of 123.98 g/mol.

Molecular Properties

Compound NameCID 163622186
PubChem CID163622186
Molecular FormulaC5H11BN3
Molecular Weight123.98 g/mol
Exact Mass124.10
IUPAC Name—
SMILESC[B]C1=NNC(C)N1C
InChIInChI=1S/C5H11BN3/c1-4-7-8-5(6-2)9(4)3/h4,7H,1-3H3
InChIKeyUZACKDXYUUQJHF-UHFFFAOYSA-N
XLogP-0.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.98
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-phenyl-1,5-dihydro-1,2,4-triazole;ethane
CID 144668209
1,2,3,5,6-pentamethyl-2H-pyrazine
CID 67676785
4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione
CID 151318752
(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine
CID 135884415
3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol
CID 142841618
(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 134369206
3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
CID 149379015
(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole
CID 86318626
2,4,5,6-tetramethyl-5H-triazine
CID 10396916
2,3,5,6-tetramethyl-3,6-dihydro-1H-1,2,4-triazine
CID 129015725
(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
CID 93499476
(4R,5R)-4,5-dimethyl-4,5-dihydro-1H-pyrazole-3-carbonyl chloride
CID 59287298

Frequently Asked Questions

What is the IUPAC name of CID 163622186?
The IUPAC name of CID 163622186 (CID 163622186) is not available.
What is the SMILES notation for CID 163622186?
The canonical SMILES for CID 163622186 is C[B]C1=NNC(C)N1C.
What is the InChIKey of CID 163622186?
The InChIKey is UZACKDXYUUQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN3/c1-4-7-8-5(6-2)9(4)3/h4,7H,1-3H3.
What are the key properties of CID 163622186?
CID 163622186 has a molecular weight of 123.98 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163622186 is sourced from PubChem (CID 163622186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).