1H-pyrrol-3-ylazanium

C4H7N2+ — CID 102193681

IUPAC1H-pyrrol-3-ylazanium
SMILES[NH3+]c1cc[nH]c1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2/p+1
InChIKeyWAUGGYPDCQZJKK-UHFFFAOYSA-O
MW83.11 g/mol
LogP-0.11
Rot. Bonds

About 1H-pyrrol-3-ylazanium

1H-pyrrol-3-ylazanium (PubChem CID 102193681) has the molecular formula C4H7N2+ and a molecular weight of 83.11 g/mol. Its IUPAC name is 1H-pyrrol-3-ylazanium.

Molecular Properties

Compound Name1H-pyrrol-3-ylazanium
PubChem CID102193681
Molecular FormulaC4H7N2+
Molecular Weight83.11 g/mol
Exact Mass83.06
IUPAC Name1H-pyrrol-3-ylazanium
SMILES[NH3+]c1cc[nH]c1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2/p+1
InChIKeyWAUGGYPDCQZJKK-UHFFFAOYSA-O
XLogP-0.11
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 1H-pyrrol-3-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrole
CID 8027
2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
3-Nitropyrrole
CID 145813
1H-Pyrrole-1,2,3,4,5-d5
CID 16212259
1H-pyrrol-3-ylmethanamine
CID 23295846
Solsodomine B
CID 10654640
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide
CID 44575445
1H-Pyrrole, 2-fluoro-
CID 11586300
3-fluoro-1H-pyrrole
CID 17958888
N-(1-Methyl-1H-pyrrol-3-yl)acetamide
CID 12674382
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1H-pyrrol-3-yl)butane-1-sulfonamide
CID 135008871

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-ylazanium?
The IUPAC name of 1H-pyrrol-3-ylazanium (CID 102193681) is 1H-pyrrol-3-ylazanium.
What is the SMILES notation for 1H-pyrrol-3-ylazanium?
The canonical SMILES for 1H-pyrrol-3-ylazanium is [NH3+]c1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-ylazanium?
The InChIKey is WAUGGYPDCQZJKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2/p+1.
What are the key properties of 1H-pyrrol-3-ylazanium?
1H-pyrrol-3-ylazanium has a molecular weight of 83.11 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-ylazanium is sourced from PubChem (CID 102193681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).