N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine

C10H12N6O2 — CID 114253462

IUPACN-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
SMILESCNc1cnc(Cn2nc([N+](=O)[O-])cc2C)cn1
InChIInChI=1S/C10H12N6O2/c1-7-3-10(16(17)18)14-15(7)6-8-4-13-9(11-2)5-12-8/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyLRKAXUQTZKCKPE-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.98
Rot. Bonds4

About N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine

N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine (PubChem CID 114253462) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
PubChem CID114253462
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
SMILESCNc1cnc(Cn2nc([N+](=O)[O-])cc2C)cn1
InChIInChI=1S/C10H12N6O2/c1-7-3-10(16(17)18)14-15(7)6-8-4-13-9(11-2)5-12-8/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyLRKAXUQTZKCKPE-UHFFFAOYSA-N
XLogP0.98
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine;hydrochloride
CID 56851189
2-Methyl-6-nitropyrazolo[1,5-a]pyrimidine
CID 841035
N-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-amine
CID 130016010
3-[(5-Methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 84596663
2-(5-Methyl-3-piperazin-1-ylpyrazol-1-yl)-5-(trifluoromethyl)pyrazine
CID 176275767
N,N,6-trimethyl-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-amine
CID 7585717
6-methyl-4-N-[3-(2-nitroimidazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 56851070
6-methyl-4-N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 56851190
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
CID 66449178
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 66449374
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine
CID 66449376
2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine
CID 66449772

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine (CID 114253462) is N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine is CNc1cnc(Cn2nc([N+](=O)[O-])cc2C)cn1.
What is the InChIKey of N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
The InChIKey is LRKAXUQTZKCKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-7-3-10(16(17)18)14-15(7)6-8-4-13-9(11-2)5-12-8/h3-5H,6H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 114253462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).