3H-pyrrol-4-amine

C4H6N2 — CID 125295946

IUPAC3H-pyrrol-4-amine
SMILESNC1=CN=CC1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-3H,1,5H2
InChIKeyNAISJZMROKQOBG-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.26
Rot. Bonds

About 3H-pyrrol-4-amine

3H-pyrrol-4-amine (PubChem CID 125295946) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 3H-pyrrol-4-amine.

Molecular Properties

Compound Name3H-pyrrol-4-amine
PubChem CID125295946
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name3H-pyrrol-4-amine
SMILESNC1=CN=CC1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-3H,1,5H2
InChIKeyNAISJZMROKQOBG-UHFFFAOYSA-N
XLogP0.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-4-amine?
The IUPAC name of 3H-pyrrol-4-amine (CID 125295946) is 3H-pyrrol-4-amine.
What is the SMILES notation for 3H-pyrrol-4-amine?
The canonical SMILES for 3H-pyrrol-4-amine is NC1=CN=CC1.
What is the InChIKey of 3H-pyrrol-4-amine?
The InChIKey is NAISJZMROKQOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-3H,1,5H2.
What are the key properties of 3H-pyrrol-4-amine?
3H-pyrrol-4-amine has a molecular weight of 82.11 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-4-amine is sourced from PubChem (CID 125295946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).