CID 70878905

C14H15BN5 — CID 70878905

IUPAC—
SMILESC[B]c1cnn2c(NCc3cccnc3)cc(C)nc12
InChIInChI=1S/C14H15BN5/c1-10-6-13(17-8-11-4-3-5-16-7-11)20-14(19-10)12(15-2)9-18-20/h3-7,9,17H,8H2,1-2H3
InChIKeyKZLZLYDQXZSMQP-UHFFFAOYSA-N
MW264.12 g/mol
LogP1.42
Rot. Bonds4

About CID 70878905

CID 70878905 (PubChem CID 70878905) has the molecular formula C14H15BN5 and a molecular weight of 264.12 g/mol.

Molecular Properties

Compound NameCID 70878905
PubChem CID70878905
Molecular FormulaC14H15BN5
Molecular Weight264.12 g/mol
Exact Mass264.14
IUPAC Name—
SMILESC[B]c1cnn2c(NCc3cccnc3)cc(C)nc12
InChIInChI=1S/C14H15BN5/c1-10-6-13(17-8-11-4-3-5-16-7-11)20-14(19-10)12(15-2)9-18-20/h3-7,9,17H,8H2,1-2H3
InChIKeyKZLZLYDQXZSMQP-UHFFFAOYSA-N
XLogP1.42
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 71148289
CID 71148289
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CID 89365529
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468
3-bromo-5-tert-butylsulfanyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067175
7-methyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43232785
3-but-2-ynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067225
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
3-methanimidoyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 136623427
3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090637
CID 89058061
CID 89058061
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-1-ium-1-yl]ethanone
CID 58828967

Frequently Asked Questions

What is the IUPAC name of CID 70878905?
The IUPAC name of CID 70878905 (CID 70878905) is not available.
What is the SMILES notation for CID 70878905?
The canonical SMILES for CID 70878905 is C[B]c1cnn2c(NCc3cccnc3)cc(C)nc12.
What is the InChIKey of CID 70878905?
The InChIKey is KZLZLYDQXZSMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BN5/c1-10-6-13(17-8-11-4-3-5-16-7-11)20-14(19-10)12(15-2)9-18-20/h3-7,9,17H,8H2,1-2H3.
What are the key properties of CID 70878905?
CID 70878905 has a molecular weight of 264.12 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70878905 is sourced from PubChem (CID 70878905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).