4-methoxy-1H-imidazole-2,5-diamine

C4H8N4O — CID 69334697

IUPAC4-methoxy-1H-imidazole-2,5-diamine
SMILESCOc1nc(N)[nH]c1N
InChIInChI=1S/C4H8N4O/c1-9-3-2(5)7-4(6)8-3/h5H2,1H3,(H3,6,7,8)
InChIKeyPMWPXGHVHSDJGB-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.42
Rot. Bonds1

About 4-methoxy-1H-imidazole-2,5-diamine

4-methoxy-1H-imidazole-2,5-diamine (PubChem CID 69334697) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-methoxy-1H-imidazole-2,5-diamine.

Molecular Properties

Compound Name4-methoxy-1H-imidazole-2,5-diamine
PubChem CID69334697
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name4-methoxy-1H-imidazole-2,5-diamine
SMILESCOc1nc(N)[nH]c1N
InChIInChI=1S/C4H8N4O/c1-9-3-2(5)7-4(6)8-3/h5H2,1H3,(H3,6,7,8)
InChIKeyPMWPXGHVHSDJGB-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-imidazole-2,5-diamine?
The IUPAC name of 4-methoxy-1H-imidazole-2,5-diamine (CID 69334697) is 4-methoxy-1H-imidazole-2,5-diamine.
What is the SMILES notation for 4-methoxy-1H-imidazole-2,5-diamine?
The canonical SMILES for 4-methoxy-1H-imidazole-2,5-diamine is COc1nc(N)[nH]c1N.
What is the InChIKey of 4-methoxy-1H-imidazole-2,5-diamine?
The InChIKey is PMWPXGHVHSDJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-9-3-2(5)7-4(6)8-3/h5H2,1H3,(H3,6,7,8).
What are the key properties of 4-methoxy-1H-imidazole-2,5-diamine?
4-methoxy-1H-imidazole-2,5-diamine has a molecular weight of 128.13 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-imidazole-2,5-diamine is sourced from PubChem (CID 69334697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).