2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol

C26H32N6O — CID 58693435

IUPAC2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol
SMILESCCN(CCO)c1ccc(/N=C2/C(C(C)(C)C)=Nn3nc(-c4ccc(C)cc4)nc32)c(C)c1
InChIInChI=1S/C26H32N6O/c1-7-31(14-15-33)20-12-13-21(18(3)16-20)27-22-23(26(4,5)6)29-32-25(22)28-24(30-32)19-10-8-17(2)9-11-19/h8-13,16,33H,7,14-15H2,1-6H3/b27-22-
InChIKeyMEPXOAQTVZKTBF-QYQHSDTDSA-N
MW444.58 g/mol
LogP4.77
Rot. Bonds6

About 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol

2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol (PubChem CID 58693435) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol
PubChem CID58693435
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol
SMILESCCN(CCO)c1ccc(/N=C2/C(C(C)(C)C)=Nn3nc(-c4ccc(C)cc4)nc32)c(C)c1
InChIInChI=1S/C26H32N6O/c1-7-31(14-15-33)20-12-13-21(18(3)16-20)27-22-23(26(4,5)6)29-32-25(22)28-24(30-32)19-10-8-17(2)9-11-19/h8-13,16,33H,7,14-15H2,1-6H3/b27-22-
InChIKeyMEPXOAQTVZKTBF-QYQHSDTDSA-N
XLogP4.77
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-7-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-[4-(sulfinatoamino)phenyl]pyrazolo[1,5-b][1,2,4]triazole
CID 71197480
5-[[4-[6-tert-butyl-7-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]carbamoyl]benzene-1,3-disulfonic acid
CID 58776945
sodium 3-[[4-[6-tert-butyl-7-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]carbamoyl]benzenesulfonate
CID 58776963
2-[6-tert-butyl-7-[4-(dioctylamino)-2-methylphenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]-4-N,4-N-diethyl-1-N-ethynylbenzene-1,4-diamine
CID 58856849
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-6-methylpyrazolo[1,5-b][1,2,4]triazol-7-imine
CID 58880700
disodium;5-[[4-[6-tert-butyl-7-[2-chloro-4-(diethylamino)phenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]carbamoyl]benzene-1,3-disulfonate
CID 58777003
N,N-diethyl-4-[[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-methylaniline
CID 58621634
3-[[4-[6-tert-butyl-7-[4-(diethylamino)-2-(trifluoromethyl)phenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]carbamoyl]benzenesulfonic acid
CID 58776874
[2-[4-[7-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]anilino]-2-oxoethyl] 2-hexyldecanoate
CID 59705946
3-[[4-[6-tert-butyl-7-[4-(diethylamino)phenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]carbamoyl]benzenesulfonic acid
CID 58776973
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[6-tert-butyl-7-[4-[butyl(2-cyanoethyl)amino]phenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]octanamide
CID 90738676
2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
CID 18326918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol?
The IUPAC name of 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol (CID 58693435) is 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol?
The canonical SMILES for 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol is CCN(CCO)c1ccc(/N=C2/C(C(C)(C)C)=Nn3nc(-c4ccc(C)cc4)nc32)c(C)c1.
What is the InChIKey of 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol?
The InChIKey is MEPXOAQTVZKTBF-QYQHSDTDSA-N. The full InChI is InChI=1S/C26H32N6O/c1-7-31(14-15-33)20-12-13-21(18(3)16-20)27-22-23(26(4,5)6)29-32-25(22)28-24(30-32)19-10-8-17(2)9-11-19/h8-13,16,33H,7,14-15H2,1-6H3/b27-22-.
What are the key properties of 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol?
2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol has a molecular weight of 444.58 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-tert-butyl-2-(4-methylphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethyl-3-methylanilino]ethanol is sourced from PubChem (CID 58693435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).