N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide

C10H10IN5O3 — CID 130318256

IUPACN-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
SMILESCn1nnn(-c2cccc(I)c2CONC=O)c1=O
InChIInChI=1S/C10H10IN5O3/c1-15-10(18)16(14-13-15)9-4-2-3-8(11)7(9)5-19-12-6-17/h2-4,6H,5H2,1H3,(H,12,17)
InChIKeyDGUDBDJWEIMDQW-UHFFFAOYSA-N
MW375.13 g/mol
LogP-0.25
Rot. Bonds5

About N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide

N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide (PubChem CID 130318256) has the molecular formula C10H10IN5O3 and a molecular weight of 375.13 g/mol. Its IUPAC name is N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide.

Molecular Properties

Compound NameN-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
PubChem CID130318256
Molecular FormulaC10H10IN5O3
Molecular Weight375.13 g/mol
Exact Mass374.98
IUPAC NameN-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
SMILESCn1nnn(-c2cccc(I)c2CONC=O)c1=O
InChIInChI=1S/C10H10IN5O3/c1-15-10(18)16(14-13-15)9-4-2-3-8(11)7(9)5-19-12-6-17/h2-4,6H,5H2,1H3,(H,12,17)
InChIKeyDGUDBDJWEIMDQW-UHFFFAOYSA-N
XLogP-0.25
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
The IUPAC name of N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide (CID 130318256) is N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide.
What is the SMILES notation for N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
The canonical SMILES for N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide is Cn1nnn(-c2cccc(I)c2CONC=O)c1=O.
What is the InChIKey of N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
The InChIKey is DGUDBDJWEIMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN5O3/c1-15-10(18)16(14-13-15)9-4-2-3-8(11)7(9)5-19-12-6-17/h2-4,6H,5H2,1H3,(H,12,17).
What are the key properties of N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide has a molecular weight of 375.13 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide is sourced from PubChem (CID 130318256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).