5-methylideneimidazol-4-amine;molecular hydrogen

C4H7N3 — CID 155730363

IUPAC5-methylideneimidazol-4-amine;molecular hydrogen
SMILESC=C1N=CN=C1N.[H][H]
InChIInChI=1S/C4H5N3.H2/c1-3-4(5)7-2-6-3;/h2H,1H2,(H2,5,6,7);1H
InChIKeyBLIPHRFJOZJWHT-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.15
Rot. Bonds

About 5-methylideneimidazol-4-amine;molecular hydrogen

5-methylideneimidazol-4-amine;molecular hydrogen (PubChem CID 155730363) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 5-methylideneimidazol-4-amine;molecular hydrogen.

Molecular Properties

Compound Name5-methylideneimidazol-4-amine;molecular hydrogen
PubChem CID155730363
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name5-methylideneimidazol-4-amine;molecular hydrogen
SMILESC=C1N=CN=C1N.[H][H]
InChIInChI=1S/C4H5N3.H2/c1-3-4(5)7-2-6-3;/h2H,1H2,(H2,5,6,7);1H
InChIKeyBLIPHRFJOZJWHT-UHFFFAOYSA-N
XLogP0.15
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylideneimidazol-4-amine;molecular hydrogen?
The IUPAC name of 5-methylideneimidazol-4-amine;molecular hydrogen (CID 155730363) is 5-methylideneimidazol-4-amine;molecular hydrogen.
What is the SMILES notation for 5-methylideneimidazol-4-amine;molecular hydrogen?
The canonical SMILES for 5-methylideneimidazol-4-amine;molecular hydrogen is C=C1N=CN=C1N.[H][H].
What is the InChIKey of 5-methylideneimidazol-4-amine;molecular hydrogen?
The InChIKey is BLIPHRFJOZJWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.H2/c1-3-4(5)7-2-6-3;/h2H,1H2,(H2,5,6,7);1H.
What are the key properties of 5-methylideneimidazol-4-amine;molecular hydrogen?
5-methylideneimidazol-4-amine;molecular hydrogen has a molecular weight of 97.12 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneimidazol-4-amine;molecular hydrogen is sourced from PubChem (CID 155730363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).