CID 163727192

C5H7AlN3O2+ — CID 163727192

IUPAC—
SMILESNc1[nH]c(=O)ncc1CO.[Al+]
InChIInChI=1S/C5H7N3O2.Al/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);/q;+1
InChIKeyYCBVLHIINRRKRS-UHFFFAOYSA-N
MW168.11 g/mol
LogP-1.54
Rot. Bonds1

About CID 163727192

CID 163727192 (PubChem CID 163727192) has the molecular formula C5H7AlN3O2+ and a molecular weight of 168.11 g/mol.

Molecular Properties

Compound NameCID 163727192
PubChem CID163727192
Molecular FormulaC5H7AlN3O2+
Molecular Weight168.11 g/mol
Exact Mass168.03
IUPAC Name—
SMILESNc1[nH]c(=O)ncc1CO.[Al+]
InChIInChI=1S/C5H7N3O2.Al/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);/q;+1
InChIKeyYCBVLHIINRRKRS-UHFFFAOYSA-N
XLogP-1.54
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 163727192?
The IUPAC name of CID 163727192 (CID 163727192) is not available.
What is the SMILES notation for CID 163727192?
The canonical SMILES for CID 163727192 is Nc1[nH]c(=O)ncc1CO.[Al+].
What is the InChIKey of CID 163727192?
The InChIKey is YCBVLHIINRRKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.Al/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);/q;+1.
What are the key properties of CID 163727192?
CID 163727192 has a molecular weight of 168.11 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163727192 is sourced from PubChem (CID 163727192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).