CID 89230875

C12H15BN4 — CID 89230875

IUPAC—
SMILES[B]c1cnn2c(N)cc(C3CCCCC3)nc12
InChIInChI=1S/C12H15BN4/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h6-8H,1-5,14H2
InChIKeyVLKARZUQXLYMSM-UHFFFAOYSA-N
MW226.09 g/mol
LogP1.15
Rot. Bonds1

About CID 89230875

CID 89230875 (PubChem CID 89230875) has the molecular formula C12H15BN4 and a molecular weight of 226.09 g/mol.

Molecular Properties

Compound NameCID 89230875
PubChem CID89230875
Molecular FormulaC12H15BN4
Molecular Weight226.09 g/mol
Exact Mass226.14
IUPAC Name—
SMILES[B]c1cnn2c(N)cc(C3CCCCC3)nc12
InChIInChI=1S/C12H15BN4/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h6-8H,1-5,14H2
InChIKeyVLKARZUQXLYMSM-UHFFFAOYSA-N
XLogP1.15
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 161126543
7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 118131964
3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821169
3-cyclooctyl-1-methylpyrazol-5-amine
CID 65018284
5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 53326009
benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 23539625
5-(4-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364603
5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364656
7-chloro-5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 170775874
tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158161650
CID 145499811
CID 145499811
6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-amine
CID 84661533

Frequently Asked Questions

What is the IUPAC name of CID 89230875?
The IUPAC name of CID 89230875 (CID 89230875) is not available.
What is the SMILES notation for CID 89230875?
The canonical SMILES for CID 89230875 is [B]c1cnn2c(N)cc(C3CCCCC3)nc12.
What is the InChIKey of CID 89230875?
The InChIKey is VLKARZUQXLYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN4/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h6-8H,1-5,14H2.
What are the key properties of CID 89230875?
CID 89230875 has a molecular weight of 226.09 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89230875 is sourced from PubChem (CID 89230875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).