CID 174038151

C15H27B2N3 — CID 174038151

IUPAC—
SMILESC[B][C@H](C)C1CCCCCc2c1nnn2C(C)(C)[B]C
InChIInChI=1S/C15H27B2N3/c1-11(16-4)12-9-7-6-8-10-13-14(12)18-19-20(13)15(2,3)17-5/h11-12H,6-10H2,1-5H3/t11-,12?/m1/s1
InChIKeyUHGREBJGTQSILU-JHJMLUEUSA-N
MW271.03 g/mol
LogP3.48
Rot. Bonds4

About CID 174038151

CID 174038151 (PubChem CID 174038151) has the molecular formula C15H27B2N3 and a molecular weight of 271.03 g/mol.

Molecular Properties

Compound NameCID 174038151
PubChem CID174038151
Molecular FormulaC15H27B2N3
Molecular Weight271.03 g/mol
Exact Mass271.24
IUPAC Name—
SMILESC[B][C@H](C)C1CCCCCc2c1nnn2C(C)(C)[B]C
InChIInChI=1S/C15H27B2N3/c1-11(16-4)12-9-7-6-8-10-13-14(12)18-19-20(13)15(2,3)17-5/h11-12H,6-10H2,1-5H3/t11-,12?/m1/s1
InChIKeyUHGREBJGTQSILU-JHJMLUEUSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.03
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174038203
CID 174038203
1,4-dimethyl-4,5,6,7,8,9-hexahydrocycloocta[d]triazole;ethane
CID 170738950
3-methyl-1-[(1-methyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]triazol-4-yl)oxy]butan-2-one
CID 142474589
3-methyl-1-[(1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]triazol-4-yl)oxy]butan-2-one
CID 142474542
3-tert-butyl-4,4-difluoro-5-propan-2-yl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 166765844
8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene
CID 166753041
4-[[4-(methoxymethyl)phenyl]methyl]-1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 139483336
5-cyclohexyl-3-propan-2-yltriazol-4-amine
CID 105462405
1-cyclopropyl-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 64669078
2-cyclopropyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 58720037
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanamine
CID 43746944
1,6-bis(2-methylbutan-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 158240440

Frequently Asked Questions

What is the IUPAC name of CID 174038151?
The IUPAC name of CID 174038151 (CID 174038151) is not available.
What is the SMILES notation for CID 174038151?
The canonical SMILES for CID 174038151 is C[B][C@H](C)C1CCCCCc2c1nnn2C(C)(C)[B]C.
What is the InChIKey of CID 174038151?
The InChIKey is UHGREBJGTQSILU-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H27B2N3/c1-11(16-4)12-9-7-6-8-10-13-14(12)18-19-20(13)15(2,3)17-5/h11-12H,6-10H2,1-5H3/t11-,12?/m1/s1.
What are the key properties of CID 174038151?
CID 174038151 has a molecular weight of 271.03 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174038151 is sourced from PubChem (CID 174038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).