3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide

C11H17N5O — CID 116653439

IUPAC3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide
SMILESCN(c1nccnc1C(N)=O)C(CN)C1CC1
InChIInChI=1S/C11H17N5O/c1-16(8(6-12)7-2-3-7)11-9(10(13)17)14-4-5-15-11/h4-5,7-8H,2-3,6,12H2,1H3,(H2,13,17)
InChIKeyAOFDHZLZJBQPMU-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.25
Rot. Bonds5

About 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide

3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide (PubChem CID 116653439) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide
PubChem CID116653439
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide
SMILESCN(c1nccnc1C(N)=O)C(CN)C1CC1
InChIInChI=1S/C11H17N5O/c1-16(8(6-12)7-2-3-7)11-9(10(13)17)14-4-5-15-11/h4-5,7-8H,2-3,6,12H2,1H3,(H2,13,17)
InChIKeyAOFDHZLZJBQPMU-UHFFFAOYSA-N
XLogP-0.25
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide
CID 79121190
2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 116653364
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653234
3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
CID 115319430
2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid
CID 55102950
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070
1-cyclopropyl-N-methyl-N-pyridazin-3-ylethane-1,2-diamine
CID 116653423
1-cyclopropyl-N-(6-methoxy-5-nitropyrimidin-4-yl)-N-methylethane-1,2-diamine
CID 116653219
3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62701319
N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653369
1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 116653334

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide (CID 116653439) is 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide is CN(c1nccnc1C(N)=O)C(CN)C1CC1.
What is the InChIKey of 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide?
The InChIKey is AOFDHZLZJBQPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16(8(6-12)7-2-3-7)11-9(10(13)17)14-4-5-15-11/h4-5,7-8H,2-3,6,12H2,1H3,(H2,13,17).
What are the key properties of 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide?
3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 116653439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).