3H-pyrrole-2,4-diamine

C4H7N3 — CID 68878462

IUPAC3H-pyrrole-2,4-diamine
SMILESNC1=CN=C(N)C1
InChIInChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2H,1,5H2,(H2,6,7)
InChIKeyMSLABPOBGFFRHA-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.45
Rot. Bonds

About 3H-pyrrole-2,4-diamine

3H-pyrrole-2,4-diamine (PubChem CID 68878462) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 3H-pyrrole-2,4-diamine.

Molecular Properties

Compound Name3H-pyrrole-2,4-diamine
PubChem CID68878462
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name3H-pyrrole-2,4-diamine
SMILESNC1=CN=C(N)C1
InChIInChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2H,1,5H2,(H2,6,7)
InChIKeyMSLABPOBGFFRHA-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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Related Compounds

3H-pyrrol-2-amine
CID 18685835
(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine
CID 67271092
5-(Aminomethylidene)-3,4-dihydropyrrol-2-amine
CID 67271093
N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide
CID 138493788
3H-pyrrole-2,4-diamine;hydrochloride
CID 141081702
N'-[(E)-2-aminobut-1-enyl]ethanimidamide
CID 148365318
molecular hydrogen;3H-pyrrol-2-amine
CID 153537288
ethene;3H-pyrrol-2-amine
CID 168179168
N'-(2-aminobut-1-enyl)ethanimidamide
CID 174084057

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrole-2,4-diamine?
The IUPAC name of 3H-pyrrole-2,4-diamine (CID 68878462) is 3H-pyrrole-2,4-diamine.
What is the SMILES notation for 3H-pyrrole-2,4-diamine?
The canonical SMILES for 3H-pyrrole-2,4-diamine is NC1=CN=C(N)C1.
What is the InChIKey of 3H-pyrrole-2,4-diamine?
The InChIKey is MSLABPOBGFFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2H,1,5H2,(H2,6,7).
What are the key properties of 3H-pyrrole-2,4-diamine?
3H-pyrrole-2,4-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-2,4-diamine is sourced from PubChem (CID 68878462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).