1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate

C15H20N6O2 — CID 153422568

IUPAC1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OC(C)c1nnc(-c2ccccn2)nn1
InChIInChI=1S/C15H20N6O2/c1-10(2)9-21(4)15(22)23-11(3)13-17-19-14(20-18-13)12-7-5-6-8-16-12/h5-8,10-11H,9H2,1-4H3
InChIKeyFGMSPOVMGNHVKD-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.11
Rot. Bonds5

About 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate

1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate (PubChem CID 153422568) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate
PubChem CID153422568
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OC(C)c1nnc(-c2ccccn2)nn1
InChIInChI=1S/C15H20N6O2/c1-10(2)9-21(4)15(22)23-11(3)13-17-19-14(20-18-13)12-7-5-6-8-16-12/h5-8,10-11H,9H2,1-4H3
InChIKeyFGMSPOVMGNHVKD-UHFFFAOYSA-N
XLogP2.11
TPSA93.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 71998783
2-(2-amino-2-oxoethoxy)-N-methyl-N-(2-methylpropyl)benzamide
CID 134005920
N-(2-chloropropyl)-N-methylpyridine-2-carboxamide
CID 63393519
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
propan-2-yl N-methyl-N-(pyrimidin-2-ylmethyl)carbamate
CID 177326284
N-(3-methylbutyl)-4-[6-[4-(3-methylbutylamino)phenyl]-3-pyridin-2-yl-1,2,4-triazin-5-yl]aniline
CID 122393679
(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225151
(2R)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225152
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)methanamine
CID 71472388
N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095623

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate?
The IUPAC name of 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate (CID 153422568) is 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate is CC(C)CN(C)C(=O)OC(C)c1nnc(-c2ccccn2)nn1.
What is the InChIKey of 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate?
The InChIKey is FGMSPOVMGNHVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(2)9-21(4)15(22)23-11(3)13-17-19-14(20-18-13)12-7-5-6-8-16-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate?
1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate has a molecular weight of 316.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)ethyl N-methyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 153422568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).