N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

C12H12N4 — CID 133064592

IUPACN,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESc1c[nH]c(N(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C12H12N4/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9,13-15H
InChIKeyMDNJQEQWDRTKRK-UHFFFAOYSA-N
MW212.26 g/mol
LogP3.14
Rot. Bonds3

About N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (PubChem CID 133064592) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
PubChem CID133064592
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESc1c[nH]c(N(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C12H12N4/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9,13-15H
InChIKeyMDNJQEQWDRTKRK-UHFFFAOYSA-N
XLogP3.14
TPSA50.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The IUPAC name of N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (CID 133064592) is N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The canonical SMILES for N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is c1c[nH]c(N(c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The InChIKey is MDNJQEQWDRTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9,13-15H.
What are the key properties of N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine has a molecular weight of 212.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 133064592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).