CID 164925744

C15H18BN7 — CID 164925744

IUPAC—
SMILES[B]c1c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C15H18BN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1
InChIKeyBZJXRKMAWZIBMV-SECBINFHSA-N
MW307.17 g/mol
LogP-0.03
Rot. Bonds2

About CID 164925744

CID 164925744 (PubChem CID 164925744) has the molecular formula C15H18BN7 and a molecular weight of 307.17 g/mol.

Molecular Properties

Compound NameCID 164925744
PubChem CID164925744
Molecular FormulaC15H18BN7
Molecular Weight307.17 g/mol
Exact Mass307.17
IUPAC Name—
SMILES[B]c1c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C15H18BN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1
InChIKeyBZJXRKMAWZIBMV-SECBINFHSA-N
XLogP-0.03
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164925744?
The IUPAC name of CID 164925744 (CID 164925744) is not available.
What is the SMILES notation for CID 164925744?
The canonical SMILES for CID 164925744 is [B]c1c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.
What is the InChIKey of CID 164925744?
The InChIKey is BZJXRKMAWZIBMV-SECBINFHSA-N. The full InChI is InChI=1S/C15H18BN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1.
What are the key properties of CID 164925744?
CID 164925744 has a molecular weight of 307.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164925744 is sourced from PubChem (CID 164925744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).