1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

C30H42N6O2 — CID 139083857

IUPAC1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)=NN1C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H42N6O2/c1-17(2)23-13-11-14-24(18(3)4)27(23)31-29(37)35-21(9)34-36(22(10)33-35)30(38)32-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,1-10H3,(H,31,37)(H,32,38)
InChIKeyHWUWPALISNSKIY-UHFFFAOYSA-N
MW518.71 g/mol
LogP8.23
Rot. Bonds6

About 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 139083857) has the molecular formula C30H42N6O2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID139083857
Molecular FormulaC30H42N6O2
Molecular Weight518.71 g/mol
Exact Mass518.34
IUPAC Name1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)=NN1C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H42N6O2/c1-17(2)23-13-11-14-24(18(3)4)27(23)31-29(37)35-21(9)34-36(22(10)33-35)30(38)32-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,1-10H3,(H,31,37)(H,32,38)
InChIKeyHWUWPALISNSKIY-UHFFFAOYSA-N
XLogP8.23
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12058189
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CID 113103376
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
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N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
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N-(2-methyl-6-propan-2-ylphenyl)acetamide
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CID 142150395
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[[2,6-di(propan-2-yl)anilino]-di(propan-2-yl)silyl]-2,6-di(propan-2-yl)aniline
CID 139132579
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
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CID 110863425
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 139083857) is 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is CC1=NN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)=NN1C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is HWUWPALISNSKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O2/c1-17(2)23-13-11-14-24(18(3)4)27(23)31-29(37)35-21(9)34-36(22(10)33-35)30(38)32-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,1-10H3,(H,31,37)(H,32,38).
What are the key properties of 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 518.71 g/mol, XLogP of 8.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 139083857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).