2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide

C14H17N5O — CID 139307179

IUPAC2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
SMILESCc1nnc(-c2ccc(CNC(=O)C(C)C)cc2)nn1
InChIInChI=1S/C14H17N5O/c1-9(2)14(20)15-8-11-4-6-12(7-5-11)13-18-16-10(3)17-19-13/h4-7,9H,8H2,1-3H3,(H,15,20)
InChIKeyBVKDKSZICQOTCC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds4

About 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide

2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide (PubChem CID 139307179) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
PubChem CID139307179
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
SMILESCc1nnc(-c2ccc(CNC(=O)C(C)C)cc2)nn1
InChIInChI=1S/C14H17N5O/c1-9(2)14(20)15-8-11-4-6-12(7-5-11)13-18-16-10(3)17-19-13/h4-7,9H,8H2,1-3H3,(H,15,20)
InChIKeyBVKDKSZICQOTCC-UHFFFAOYSA-N
XLogP1.51
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
2-(4-aminophenyl)-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]pentanamide
CID 166697373
N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
CID 129273900
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-benzyl-2-methylpropanamide;methane
CID 160760567
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393281
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454883
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454889
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393283
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide
CID 122594287
4-(2-methylpropyl)-N-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethyl]benzamide
CID 176590118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide (CID 139307179) is 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide is Cc1nnc(-c2ccc(CNC(=O)C(C)C)cc2)nn1.
What is the InChIKey of 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide?
The InChIKey is BVKDKSZICQOTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)14(20)15-8-11-4-6-12(7-5-11)13-18-16-10(3)17-19-13/h4-7,9H,8H2,1-3H3,(H,15,20).
What are the key properties of 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide?
2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 139307179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).