2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile

C30H24N6 — CID 123277688

IUPAC2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
SMILESC/C(=N\c1ccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C30H24N6/c1-21(30(17-18-30)25-8-3-2-4-9-25)32-26-14-11-22(12-15-26)24-13-16-28-34-29(35-36(28)20-24)33-27-10-6-5-7-23(27)19-31/h2-16,20H,17-18H2,1H3,(H,33,35)/b32-21+
InChIKeyCLAZXOPINVFNQT-RUMWWMSVSA-N
MW468.56 g/mol
LogP6.84
Rot. Bonds6

About 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile

2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile (PubChem CID 123277688) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
PubChem CID123277688
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
SMILESC/C(=N\c1ccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C30H24N6/c1-21(30(17-18-30)25-8-3-2-4-9-25)32-26-14-11-22(12-15-26)24-13-16-28-34-29(35-36(28)20-24)33-27-10-6-5-7-23(27)19-31/h2-16,20H,17-18H2,1H3,(H,33,35)/b32-21+
InChIKeyCLAZXOPINVFNQT-RUMWWMSVSA-N
XLogP6.84
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
4-(1-Cyclohexyl-ethylamino)-1-ethyl-1H-pyrazolo[3,4-b]quinoline-6-carbonitrile
CID 44264943
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 53234586
Mps-BAY1
CID 53234663
N-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552
5-Methyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23604753
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
4-[6-(Benzylamino)imidazo[1,2-B]pyridazin-3-Yl]benzonitrile
CID 122179540
5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263416
N-(4-benzylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263417

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile (CID 123277688) is 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile is C/C(=N\c1ccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
The InChIKey is CLAZXOPINVFNQT-RUMWWMSVSA-N. The full InChI is InChI=1S/C30H24N6/c1-21(30(17-18-30)25-8-3-2-4-9-25)32-26-14-11-22(12-15-26)24-13-16-28-34-29(35-36(28)20-24)33-27-10-6-5-7-23(27)19-31/h2-16,20H,17-18H2,1H3,(H,33,35)/b32-21+.
What are the key properties of 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile has a molecular weight of 468.56 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile is sourced from PubChem (CID 123277688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).