5-iminopyrrol-2-amine

C4H5N3 — CID 55290025

IUPAC5-iminopyrrol-2-amine
SMILES[H]/N=C1\C=CC(N)=N1
InChIInChI=1S/C4H5N3/c5-3-1-2-4(6)7-3/h1-2H,(H3,5,6,7)
InChIKeyYTPCNCOVEFRSOV-UHFFFAOYSA-N
MW95.10 g/mol
LogP-0.11
Rot. Bonds

About 5-iminopyrrol-2-amine

5-iminopyrrol-2-amine (PubChem CID 55290025) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 5-iminopyrrol-2-amine.

Molecular Properties

Compound Name5-iminopyrrol-2-amine
PubChem CID55290025
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name5-iminopyrrol-2-amine
SMILES[H]/N=C1\C=CC(N)=N1
InChIInChI=1S/C4H5N3/c5-3-1-2-4(6)7-3/h1-2H,(H3,5,6,7)
InChIKeyYTPCNCOVEFRSOV-UHFFFAOYSA-N
XLogP-0.11
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iminopyrrol-2-amine?
The IUPAC name of 5-iminopyrrol-2-amine (CID 55290025) is 5-iminopyrrol-2-amine.
What is the SMILES notation for 5-iminopyrrol-2-amine?
The canonical SMILES for 5-iminopyrrol-2-amine is [H]/N=C1\C=CC(N)=N1.
What is the InChIKey of 5-iminopyrrol-2-amine?
The InChIKey is YTPCNCOVEFRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c5-3-1-2-4(6)7-3/h1-2H,(H3,5,6,7).
What are the key properties of 5-iminopyrrol-2-amine?
5-iminopyrrol-2-amine has a molecular weight of 95.10 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopyrrol-2-amine is sourced from PubChem (CID 55290025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).