CID 59526706

C10H11N4O2- — CID 59526706

IUPAC—
SMILES[CH2-]n1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C10H11N4O2/c1-14-12-10(11-13-14)7-4-5-8(15-2)9(6-7)16-3/h4-6H,1H2,2-3H3/q-1
InChIKeyBDEMJMBVDJBNQB-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.00
Rot. Bonds3

About CID 59526706

CID 59526706 (PubChem CID 59526706) has the molecular formula C10H11N4O2- and a molecular weight of 219.22 g/mol.

Molecular Properties

Compound NameCID 59526706
PubChem CID59526706
Molecular FormulaC10H11N4O2-
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name—
SMILES[CH2-]n1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C10H11N4O2/c1-14-12-10(11-13-14)7-4-5-8(15-2)9(6-7)16-3/h4-6H,1H2,2-3H3/q-1
InChIKeyBDEMJMBVDJBNQB-UHFFFAOYSA-N
XLogP1.00
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine
CID 4913034
2-[(2-bromo-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)tetrazole
CID 55499439
5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
CID 84595829
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
CID 7467433
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
CID 19798533
2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 43831132
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686

Frequently Asked Questions

What is the IUPAC name of CID 59526706?
The IUPAC name of CID 59526706 (CID 59526706) is not available.
What is the SMILES notation for CID 59526706?
The canonical SMILES for CID 59526706 is [CH2-]n1nnc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of CID 59526706?
The InChIKey is BDEMJMBVDJBNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N4O2/c1-14-12-10(11-13-14)7-4-5-8(15-2)9(6-7)16-3/h4-6H,1H2,2-3H3/q-1.
What are the key properties of CID 59526706?
CID 59526706 has a molecular weight of 219.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59526706 is sourced from PubChem (CID 59526706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).