1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol

C22H18N4O — CID 138620997

IUPAC1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol
SMILESOC1(c2nc3cc(N=C(c4ccccc4)c4ccccc4)ccn3n2)CC1
InChIInChI=1S/C22H18N4O/c27-22(12-13-22)21-24-19-15-18(11-14-26(19)25-21)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-11,14-15,27H,12-13H2
InChIKeyYPGYXDPPXYCESN-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.88
Rot. Bonds4

About 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol

1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol (PubChem CID 138620997) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol
PubChem CID138620997
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol
SMILESOC1(c2nc3cc(N=C(c4ccccc4)c4ccccc4)ccn3n2)CC1
InChIInChI=1S/C22H18N4O/c27-22(12-13-22)21-24-19-15-18(11-14-26(19)25-21)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-11,14-15,27H,12-13H2
InChIKeyYPGYXDPPXYCESN-UHFFFAOYSA-N
XLogP3.88
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine
CID 138621071
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium
CID 143737738
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine
CID 140904704
N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine
CID 175884989
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine
CID 58065690
N-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine
CID 166508098

Frequently Asked Questions

What is the IUPAC name of 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol (CID 138620997) is 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol is OC1(c2nc3cc(N=C(c4ccccc4)c4ccccc4)ccn3n2)CC1.
What is the InChIKey of 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol?
The InChIKey is YPGYXDPPXYCESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(12-13-22)21-24-19-15-18(11-14-26(19)25-21)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-11,14-15,27H,12-13H2.
What are the key properties of 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol?
1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol has a molecular weight of 354.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(benzhydrylideneamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 138620997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).