5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine

C80H95N21O — CID 157189434

About 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine

5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine (PubChem CID 157189434) has the molecular formula C80H95N21O and a molecular weight of 1366.79 g/mol. Its IUPAC name is 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
• PubChem CID: 157189434
• Molecular Formula: C80H95N21O
• Molecular Weight: 1366.79 g/mol
• Exact Mass: 1365.80
• IUPAC Name: 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
• SMILES: CCCCN(CCCC)c1ccc(/N=C2/C(C(C)(C)C)=Nn3c2nnc3-c2cccc(C)c2)c(C)n1.CCN(CC)c1ccc(/N=C2/C(C(C)(C)C)=Nn3c2nnc3-c2ccc(OC)cc2)c(C)n1.CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)n1
• InChI: InChI=1S/C29H39N7.C26H25N7.C25H31N7O/c1-8-10-17-35(18-11-9-2)24-16-15-23(21(4)30-24)31-25-26(29(5,6)7)34-36-27(32-33-28(25)36)22-14-12-13-20(3)19-22;1-4-32(5-2)22-17-16-21(18(3)27-22)28-24-23(19-12-8-6-9-13-19)31-33-25(29-30-26(24)33)20-14-10-7-11-15-20;1-8-31(9-2)20-15-14-19(16(3)26-20)27-21-22(25(4,5)6)30-32-23(28-29-24(21)32)17-10-12-18(33-7)13-11-17/h12-16,19H,8-11,17-18H2,1-7H3;6-17H,4-5H2,1-3H3;10-15H,8-9H2,1-7H3/b31-25-;28-24-;27-21-
• InChIKey: APNCPBFITKXJAM-LPTPWNEPSA-N
• XLogP: 16.52
• TPSA: 223.91 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1366.79
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?

The IUPAC name of 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine (CID 157189434) is 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine.

What is the SMILES notation for 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?

The canonical SMILES for 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine is CCCCN(CCCC)c1ccc(/N=C2/C(C(C)(C)C)=Nn3c2nnc3-c2cccc(C)c2)c(C)n1.CCN(CC)c1ccc(/N=C2/C(C(C)(C)C)=Nn3c2nnc3-c2ccc(OC)cc2)c(C)n1.CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)n1.

What is the InChIKey of 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?

The InChIKey is APNCPBFITKXJAM-LPTPWNEPSA-N. The full InChI is InChI=1S/C29H39N7.C26H25N7.C25H31N7O/c1-8-10-17-35(18-11-9-2)24-16-15-23(21(4)30-24)31-25-26(29(5,6)7)34-36-27(32-33-28(25)36)22-14-12-13-20(3)19-22;1-4-32(5-2)22-17-16-21(18(3)27-22)28-24-23(19-12-8-6-9-13-19)31-33-25(29-30-26(24)33)20-14-10-7-11-15-20;1-8-31(9-2)20-15-14-19(16(3)26-20)27-21-22(25(4,5)6)30-32-23(28-29-24(21)32)17-10-12-18(33-7)13-11-17/h12-16,19H,8-11,17-18H2,1-7H3;6-17H,4-5H2,1-3H3;10-15H,8-9H2,1-7H3/b31-25-;28-24-;27-21-.

What are the key properties of 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?

5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine has a molecular weight of 1366.79 g/mol, XLogP of 16.52, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine is sourced from PubChem (CID 157189434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).