3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide

C8H15N5O — CID 114998598

IUPAC3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(C)[nH]c1N
InChIInChI=1S/C8H15N5O/c1-5-12-7(9)8(13-5)11-4-3-6(14)10-2/h11H,3-4,9H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyCGVMIWSYVTXLEL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.15
Rot. Bonds4

About 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide

3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide (PubChem CID 114998598) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide
PubChem CID114998598
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(C)[nH]c1N
InChIInChI=1S/C8H15N5O/c1-5-12-7(9)8(13-5)11-4-3-6(14)10-2/h11H,3-4,9H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyCGVMIWSYVTXLEL-UHFFFAOYSA-N
XLogP-0.15
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide (CID 114998598) is 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc(C)[nH]c1N.
What is the InChIKey of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide?
The InChIKey is CGVMIWSYVTXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5-12-7(9)8(13-5)11-4-3-6(14)10-2/h11H,3-4,9H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide?
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide has a molecular weight of 197.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 114998598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).