CID 163437713

C6H4AlN3 — CID 163437713

IUPAC—
SMILES[Al]c1[nH]nc2ccncc12
InChIInChI=1S/C6H4N3.Al/c1-2-7-3-5-4-8-9-6(1)5;/h1-3H,(H,8,9);
InChIKeyKOOQEDIGGHZCQB-UHFFFAOYSA-N
MW145.10 g/mol
LogP-0.25
Rot. Bonds

About CID 163437713

CID 163437713 (PubChem CID 163437713) has the molecular formula C6H4AlN3 and a molecular weight of 145.10 g/mol.

Molecular Properties

Compound NameCID 163437713
PubChem CID163437713
Molecular FormulaC6H4AlN3
Molecular Weight145.10 g/mol
Exact Mass145.02
IUPAC Name—
SMILES[Al]c1[nH]nc2ccncc12
InChIInChI=1S/C6H4N3.Al/c1-2-7-3-5-4-8-9-6(1)5;/h1-3H,(H,8,9);
InChIKeyKOOQEDIGGHZCQB-UHFFFAOYSA-N
XLogP-0.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 163437713?
The IUPAC name of CID 163437713 (CID 163437713) is not available.
What is the SMILES notation for CID 163437713?
The canonical SMILES for CID 163437713 is [Al]c1[nH]nc2ccncc12.
What is the InChIKey of CID 163437713?
The InChIKey is KOOQEDIGGHZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.Al/c1-2-7-3-5-4-8-9-6(1)5;/h1-3H,(H,8,9);.
What are the key properties of CID 163437713?
CID 163437713 has a molecular weight of 145.10 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163437713 is sourced from PubChem (CID 163437713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).