2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine

C8H10N4 — CID 57191235

IUPAC2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine
SMILESNc1cc[nH]c1Nc1ccc[nH]1
InChIInChI=1S/C8H10N4/c9-6-3-5-11-8(6)12-7-2-1-4-10-7/h1-5,10-12H,9H2
InChIKeyJXKJTSMZLQHICN-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.67
Rot. Bonds2

About 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine

2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine (PubChem CID 57191235) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine.

Molecular Properties

Compound Name2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine
PubChem CID57191235
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine
SMILESNc1cc[nH]c1Nc1ccc[nH]1
InChIInChI=1S/C8H10N4/c9-6-3-5-11-8(6)12-7-2-1-4-10-7/h1-5,10-12H,9H2
InChIKeyJXKJTSMZLQHICN-UHFFFAOYSA-N
XLogP1.67
TPSA69.63 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine?
The IUPAC name of 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine (CID 57191235) is 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine.
What is the SMILES notation for 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine?
The canonical SMILES for 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine is Nc1cc[nH]c1Nc1ccc[nH]1.
What is the InChIKey of 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine?
The InChIKey is JXKJTSMZLQHICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-6-3-5-11-8(6)12-7-2-1-4-10-7/h1-5,10-12H,9H2.
What are the key properties of 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine?
2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine has a molecular weight of 162.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine is sourced from PubChem (CID 57191235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).