(3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one

C11H8N5OP — CID 143481482

IUPAC(3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one
SMILES[H]/N=c1\c(=O)c2ccccc2\c1=N\c1nnc(N)[pH]1
InChIInChI=1S/C11H8N5OP/c12-7-8(14-11-16-15-10(13)18-11)5-3-1-2-4-6(5)9(7)17/h1-4,12,18H,(H2,13,15)/b12-7-,14-8-
InChIKeySPVRDGKMIBPDMS-FFNMSDODSA-N
MW257.19 g/mol
LogP0.19
Rot. Bonds1

About (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one

(3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one (PubChem CID 143481482) has the molecular formula C11H8N5OP and a molecular weight of 257.19 g/mol. Its IUPAC name is (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one.

Molecular Properties

Compound Name(3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one
PubChem CID143481482
Molecular FormulaC11H8N5OP
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name(3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one
SMILES[H]/N=c1\c(=O)c2ccccc2\c1=N\c1nnc(N)[pH]1
InChIInChI=1S/C11H8N5OP/c12-7-8(14-11-16-15-10(13)18-11)5-3-1-2-4-6(5)9(7)17/h1-4,12,18H,(H2,13,15)/b12-7-,14-8-
InChIKeySPVRDGKMIBPDMS-FFNMSDODSA-N
XLogP0.19
TPSA105.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one?
The IUPAC name of (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one (CID 143481482) is (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one.
What is the SMILES notation for (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one?
The canonical SMILES for (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one is [H]/N=c1\c(=O)c2ccccc2\c1=N\c1nnc(N)[pH]1.
What is the InChIKey of (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one?
The InChIKey is SPVRDGKMIBPDMS-FFNMSDODSA-N. The full InChI is InChI=1S/C11H8N5OP/c12-7-8(14-11-16-15-10(13)18-11)5-3-1-2-4-6(5)9(7)17/h1-4,12,18H,(H2,13,15)/b12-7-,14-8-.
What are the key properties of (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one?
(3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one has a molecular weight of 257.19 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-amino-4H-1,2,4-diazaphosphol-3-yl)imino]-2-iminoinden-1-one is sourced from PubChem (CID 143481482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).