CID 165155960

C6H6N4O2 — CID 165155960

IUPAC—
SMILES[CH]C(=O)COCc1nnn([CH])n1
InChIInChI=1S/C6H6N4O2/c1-5(11)3-12-4-6-7-9-10(2)8-6/h1-2H,3-4H2
InChIKeyNPFCVZNSDGNVOU-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.01
Rot. Bonds4

About CID 165155960

CID 165155960 (PubChem CID 165155960) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol.

Molecular Properties

Compound NameCID 165155960
PubChem CID165155960
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name—
SMILES[CH]C(=O)COCc1nnn([CH])n1
InChIInChI=1S/C6H6N4O2/c1-5(11)3-12-4-6-7-9-10(2)8-6/h1-2H,3-4H2
InChIKeyNPFCVZNSDGNVOU-UHFFFAOYSA-N
XLogP-1.01
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 165155960?
The IUPAC name of CID 165155960 (CID 165155960) is not available.
What is the SMILES notation for CID 165155960?
The canonical SMILES for CID 165155960 is [CH]C(=O)COCc1nnn([CH])n1.
What is the InChIKey of CID 165155960?
The InChIKey is NPFCVZNSDGNVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-5(11)3-12-4-6-7-9-10(2)8-6/h1-2H,3-4H2.
What are the key properties of CID 165155960?
CID 165155960 has a molecular weight of 166.14 g/mol, XLogP of -1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165155960 is sourced from PubChem (CID 165155960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).