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

C12H14N6O — CID 121282848

IUPACN-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccnc(-c2nnc(C)nn2)c1
InChIInChI=1S/C12H14N6O/c1-3-4-11(19)14-9-5-6-13-10(7-9)12-17-15-8(2)16-18-12/h5-7H,3-4H2,1-2H3,(H,13,14,19)
InChIKeyUXGPQIQLVAKJJW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.38
Rot. Bonds4

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

N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide (PubChem CID 121282848) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide
PubChem CID121282848
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC NameN-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccnc(-c2nnc(C)nn2)c1
InChIInChI=1S/C12H14N6O/c1-3-4-11(19)14-9-5-6-13-10(7-9)12-17-15-8(2)16-18-12/h5-7H,3-4H2,1-2H3,(H,13,14,19)
InChIKeyUXGPQIQLVAKJJW-UHFFFAOYSA-N
XLogP1.38
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
N-(3-methylquinoxalin-6-yl)butanamide
CID 154505426
3-(butanoylamino)benzoate
CID 5092431
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-phenazin-2-ylbutanamide
CID 73349412
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
N-isoquinolin-6-ylbutanamide
CID 118007953

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide?
The IUPAC name of N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide (CID 121282848) is N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide.
What is the SMILES notation for N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide?
The canonical SMILES for N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide is CCCC(=O)Nc1ccnc(-c2nnc(C)nn2)c1.
What is the InChIKey of N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide?
The InChIKey is UXGPQIQLVAKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-3-4-11(19)14-9-5-6-13-10(7-9)12-17-15-8(2)16-18-12/h5-7H,3-4H2,1-2H3,(H,13,14,19).
What are the key properties of N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide?
N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide has a molecular weight of 258.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-1,2,4,5-tetrazin-3-yl)-4-pyridinyl]butanamide is sourced from PubChem (CID 121282848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).