N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine

C12H17N5O — CID 114256788

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCOc1cc(CNc2cnc(C)c(C)n2)nn1C
InChIInChI=1S/C12H17N5O/c1-8-9(2)15-11(7-13-8)14-6-10-5-12(18-4)17(3)16-10/h5,7H,6H2,1-4H3,(H,14,15)
InChIKeyUBWNSUHMZXKSRD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.45
Rot. Bonds4

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114256788) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114256788
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCOc1cc(CNc2cnc(C)c(C)n2)nn1C
InChIInChI=1S/C12H17N5O/c1-8-9(2)15-11(7-13-8)14-6-10-5-12(18-4)17(3)16-10/h5,7H,6H2,1-4H3,(H,14,15)
InChIKeyUBWNSUHMZXKSRD-UHFFFAOYSA-N
XLogP1.45
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 114256795
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-6-methylpyridin-2-amine
CID 114256789
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
6-chloro-5-ethyl-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 114256242
1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
CID 114255534
5,6-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazin-2-amine
CID 114475644
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114256011
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 114255950
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 114255453
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114474614
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine (CID 114256788) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine is COc1cc(CNc2cnc(C)c(C)n2)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is UBWNSUHMZXKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-9(2)15-11(7-13-8)14-6-10-5-12(18-4)17(3)16-10/h5,7H,6H2,1-4H3,(H,14,15).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114256788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).