tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate

C17H23N5O2 — CID 162020416

IUPACtert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(Cc1nnc(-c2ccccc2)nn1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N5O2/c1-12(2)22(16(23)24-17(3,4)5)11-14-18-20-15(21-19-14)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyPZNSJVQHZRZERE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate

tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate (PubChem CID 162020416) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate
PubChem CID162020416
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nametert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(Cc1nnc(-c2ccccc2)nn1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N5O2/c1-12(2)22(16(23)24-17(3,4)5)11-14-18-20-15(21-19-14)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyPZNSJVQHZRZERE-UHFFFAOYSA-N
XLogP3.08
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(tert-butylamino)-2-oxoethyl]-N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]carbamate
CID 158507565
tert-butyl N-[4-(2,2-dimethylpropanoylamino)phenyl]-N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]carbamate
CID 158507567
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
CID 102492141
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(6-phenyl-1,2,4,5-tetrazin-3-yl)acetic acid
CID 158823741
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
tert-butyl N-[(6-bromo-2-pyridinyl)methyl]-N-propan-2-ylcarbamate
CID 87834368
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
propan-2-yl N-methyl-N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]carbamate
CID 142061604
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate (CID 162020416) is tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate is CC(C)N(Cc1nnc(-c2ccccc2)nn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate?
The InChIKey is PZNSJVQHZRZERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)22(16(23)24-17(3,4)5)11-14-18-20-15(21-19-14)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3.
What are the key properties of tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate has a molecular weight of 329.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 162020416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).