CID 174685317

C7H10BN2 — CID 174685317

IUPAC—
SMILES[B]1CCCC1c1ccn[nH]1
InChIInChI=1S/C7H10BN2/c1-2-6(8-4-1)7-3-5-9-10-7/h3,5-6H,1-2,4H2,(H,9,10)
InChIKeyRWODHZDTJVZFCO-UHFFFAOYSA-N
MW132.98 g/mol
LogP1.37
Rot. Bonds1

About CID 174685317

CID 174685317 (PubChem CID 174685317) has the molecular formula C7H10BN2 and a molecular weight of 132.98 g/mol.

Molecular Properties

Compound NameCID 174685317
PubChem CID174685317
Molecular FormulaC7H10BN2
Molecular Weight132.98 g/mol
Exact Mass133.09
IUPAC Name—
SMILES[B]1CCCC1c1ccn[nH]1
InChIInChI=1S/C7H10BN2/c1-2-6(8-4-1)7-3-5-9-10-7/h3,5-6H,1-2,4H2,(H,9,10)
InChIKeyRWODHZDTJVZFCO-UHFFFAOYSA-N
XLogP1.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.98
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-(4,8-dioxabicyclo[5.1.0]octan-3-yl)-1H-pyrazole
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5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
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5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-pyrazole
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CID 82416294
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CID 176612652
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2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
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5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
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3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
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(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925

Frequently Asked Questions

What is the IUPAC name of CID 174685317?
The IUPAC name of CID 174685317 (CID 174685317) is not available.
What is the SMILES notation for CID 174685317?
The canonical SMILES for CID 174685317 is [B]1CCCC1c1ccn[nH]1.
What is the InChIKey of CID 174685317?
The InChIKey is RWODHZDTJVZFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BN2/c1-2-6(8-4-1)7-3-5-9-10-7/h3,5-6H,1-2,4H2,(H,9,10).
What are the key properties of CID 174685317?
CID 174685317 has a molecular weight of 132.98 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174685317 is sourced from PubChem (CID 174685317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).