3H-pyrrole-2,5-diamine

C4H7N3 — CID 55288751

IUPAC3H-pyrrole-2,5-diamine
SMILESNC1=CCC(N)=N1
InChIInChI=1S/C4H7N3/c5-3-1-2-4(6)7-3/h1H,2,5H2,(H2,6,7)
InChIKeyRRMQQFRYMNFDIK-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.45
Rot. Bonds

About 3H-pyrrole-2,5-diamine

3H-pyrrole-2,5-diamine (PubChem CID 55288751) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 3H-pyrrole-2,5-diamine.

Molecular Properties

Compound Name3H-pyrrole-2,5-diamine
PubChem CID55288751
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name3H-pyrrole-2,5-diamine
SMILESNC1=CCC(N)=N1
InChIInChI=1S/C4H7N3/c5-3-1-2-4(6)7-3/h1H,2,5H2,(H2,6,7)
InChIKeyRRMQQFRYMNFDIK-UHFFFAOYSA-N
XLogP-0.45
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrole-2,5-diamine?
The IUPAC name of 3H-pyrrole-2,5-diamine (CID 55288751) is 3H-pyrrole-2,5-diamine.
What is the SMILES notation for 3H-pyrrole-2,5-diamine?
The canonical SMILES for 3H-pyrrole-2,5-diamine is NC1=CCC(N)=N1.
What is the InChIKey of 3H-pyrrole-2,5-diamine?
The InChIKey is RRMQQFRYMNFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-3-1-2-4(6)7-3/h1H,2,5H2,(H2,6,7).
What are the key properties of 3H-pyrrole-2,5-diamine?
3H-pyrrole-2,5-diamine has a molecular weight of 97.12 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrole-2,5-diamine is sourced from PubChem (CID 55288751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).