4-methylideneimidazol-2-amine

C4H5N3 — CID 156825834

IUPAC4-methylideneimidazol-2-amine
SMILESC=C1C=NC(N)=N1
InChIInChI=1S/C4H5N3/c1-3-2-6-4(5)7-3/h2H,1H2,(H2,5,7)
InChIKeyIYJIMJVDQDTAGH-UHFFFAOYSA-N
MW95.10 g/mol
LogP-0.10
Rot. Bonds

About 4-methylideneimidazol-2-amine

4-methylideneimidazol-2-amine (PubChem CID 156825834) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 4-methylideneimidazol-2-amine.

Molecular Properties

Compound Name4-methylideneimidazol-2-amine
PubChem CID156825834
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name4-methylideneimidazol-2-amine
SMILESC=C1C=NC(N)=N1
InChIInChI=1S/C4H5N3/c1-3-2-6-4(5)7-3/h2H,1H2,(H2,5,7)
InChIKeyIYJIMJVDQDTAGH-UHFFFAOYSA-N
XLogP-0.10
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylideneimidazol-2-amine?
The IUPAC name of 4-methylideneimidazol-2-amine (CID 156825834) is 4-methylideneimidazol-2-amine.
What is the SMILES notation for 4-methylideneimidazol-2-amine?
The canonical SMILES for 4-methylideneimidazol-2-amine is C=C1C=NC(N)=N1.
What is the InChIKey of 4-methylideneimidazol-2-amine?
The InChIKey is IYJIMJVDQDTAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c1-3-2-6-4(5)7-3/h2H,1H2,(H2,5,7).
What are the key properties of 4-methylideneimidazol-2-amine?
4-methylideneimidazol-2-amine has a molecular weight of 95.10 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneimidazol-2-amine is sourced from PubChem (CID 156825834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).