1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine

C12H15N6P — CID 146390076

IUPAC1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine
SMILESNc1ccn(P(n2ccc(N)c2)n2ccc(N)c2)c1
InChIInChI=1S/C12H15N6P/c13-10-1-4-16(7-10)19(17-5-2-11(14)8-17)18-6-3-12(15)9-18/h1-9H,13-15H2
InChIKeyUEANLNKSMWMLFQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.01
Rot. Bonds3

About 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine

1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine (PubChem CID 146390076) has the molecular formula C12H15N6P and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine.

Molecular Properties

Compound Name1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine
PubChem CID146390076
Molecular FormulaC12H15N6P
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine
SMILESNc1ccn(P(n2ccc(N)c2)n2ccc(N)c2)c1
InChIInChI=1S/C12H15N6P/c13-10-1-4-16(7-10)19(17-5-2-11(14)8-17)18-6-3-12(15)9-18/h1-9H,13-15H2
InChIKeyUEANLNKSMWMLFQ-UHFFFAOYSA-N
XLogP2.01
TPSA92.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine?
The IUPAC name of 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine (CID 146390076) is 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine.
What is the SMILES notation for 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine?
The canonical SMILES for 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine is Nc1ccn(P(n2ccc(N)c2)n2ccc(N)c2)c1.
What is the InChIKey of 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine?
The InChIKey is UEANLNKSMWMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N6P/c13-10-1-4-16(7-10)19(17-5-2-11(14)8-17)18-6-3-12(15)9-18/h1-9H,13-15H2.
What are the key properties of 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine?
1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine has a molecular weight of 274.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(3-aminopyrrol-1-yl)phosphanylpyrrol-3-amine is sourced from PubChem (CID 146390076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).