3H-pyrrole-2,4-diamine;hydrochloride

C4H8ClN3 — CID 141081702

IUPAC3H-pyrrole-2,4-diamine;hydrochloride
SMILESCl.NC1=CN=C(N)C1
InChIInChI=1S/C4H7N3.ClH/c5-3-1-4(6)7-2-3;/h2H,1,5H2,(H2,6,7);1H
InChIKeyZFJXGWPASUAGTK-UHFFFAOYSA-N
MW133.58 g/mol
LogP-0.03
Rot. Bonds

About 3H-pyrrole-2,4-diamine;hydrochloride

3H-pyrrole-2,4-diamine;hydrochloride (PubChem CID 141081702) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is 3H-pyrrole-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name3H-pyrrole-2,4-diamine;hydrochloride
PubChem CID141081702
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC Name3H-pyrrole-2,4-diamine;hydrochloride
SMILESCl.NC1=CN=C(N)C1
InChIInChI=1S/C4H7N3.ClH/c5-3-1-4(6)7-2-3;/h2H,1,5H2,(H2,6,7);1H
InChIKeyZFJXGWPASUAGTK-UHFFFAOYSA-N
XLogP-0.03
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrole-2,4-diamine;hydrochloride?
The IUPAC name of 3H-pyrrole-2,4-diamine;hydrochloride (CID 141081702) is 3H-pyrrole-2,4-diamine;hydrochloride.
What is the SMILES notation for 3H-pyrrole-2,4-diamine;hydrochloride?
The canonical SMILES for 3H-pyrrole-2,4-diamine;hydrochloride is Cl.NC1=CN=C(N)C1.
What is the InChIKey of 3H-pyrrole-2,4-diamine;hydrochloride?
The InChIKey is ZFJXGWPASUAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.ClH/c5-3-1-4(6)7-2-3;/h2H,1,5H2,(H2,6,7);1H.
What are the key properties of 3H-pyrrole-2,4-diamine;hydrochloride?
3H-pyrrole-2,4-diamine;hydrochloride has a molecular weight of 133.58 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrole-2,4-diamine;hydrochloride is sourced from PubChem (CID 141081702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).