1-methoxypyrrole-3,4-diamine

C5H9N3O — CID 55285901

IUPAC1-methoxypyrrole-3,4-diamine
SMILESCOn1cc(N)c(N)c1
InChIInChI=1S/C5H9N3O/c1-9-8-2-4(6)5(7)3-8/h2-3H,6-7H2,1H3
InChIKeyNCFXXFNXYQMHPI-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.29
Rot. Bonds1

About 1-methoxypyrrole-3,4-diamine

1-methoxypyrrole-3,4-diamine (PubChem CID 55285901) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-methoxypyrrole-3,4-diamine.

Molecular Properties

Compound Name1-methoxypyrrole-3,4-diamine
PubChem CID55285901
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-methoxypyrrole-3,4-diamine
SMILESCOn1cc(N)c(N)c1
InChIInChI=1S/C5H9N3O/c1-9-8-2-4(6)5(7)3-8/h2-3H,6-7H2,1H3
InChIKeyNCFXXFNXYQMHPI-UHFFFAOYSA-N
XLogP-0.29
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 69235459
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CID 69332729
5-methoxy-1-methylpyrrol-3-amine
CID 69339573
1-methoxybenzimidazol-2-amine
CID 21390437
4-methoxyimidazo[1,2-c]triazol-6-amine
CID 69461403
2,7-dimethylimidazo[1,2-a]pyridin-6-amine;hydrochloride
CID 121348410
dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 112713972
2-(3,4-dimethoxyphenyl)-3,7-dimethylimidazo[1,2-a]pyridin-6-amine
CID 82060074
2-tris(trimethylsilyloxy)silylbenzene-1,3,5-triamine
CID 139757081
4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
CID 141296455
2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol
CID 69463244

Frequently Asked Questions

What is the IUPAC name of 1-methoxypyrrole-3,4-diamine?
The IUPAC name of 1-methoxypyrrole-3,4-diamine (CID 55285901) is 1-methoxypyrrole-3,4-diamine.
What is the SMILES notation for 1-methoxypyrrole-3,4-diamine?
The canonical SMILES for 1-methoxypyrrole-3,4-diamine is COn1cc(N)c(N)c1.
What is the InChIKey of 1-methoxypyrrole-3,4-diamine?
The InChIKey is NCFXXFNXYQMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-9-8-2-4(6)5(7)3-8/h2-3H,6-7H2,1H3.
What are the key properties of 1-methoxypyrrole-3,4-diamine?
1-methoxypyrrole-3,4-diamine has a molecular weight of 127.15 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyrrole-3,4-diamine is sourced from PubChem (CID 55285901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).