N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C7H7IN6O2 — CID 178130242

IUPACN-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(=O)NCI)ncn2c1=O
InChIInChI=1S/C7H7IN6O2/c1-13-7(16)14-3-10-4(5(14)11-12-13)6(15)9-2-8/h3H,2H2,1H3,(H,9,15)
InChIKeyFGEMOFZCTRANEC-UHFFFAOYSA-N
MW334.08 g/mol
LogP-1.05
Rot. Bonds2

About N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 178130242) has the molecular formula C7H7IN6O2 and a molecular weight of 334.08 g/mol. Its IUPAC name is N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound NameN-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID178130242
Molecular FormulaC7H7IN6O2
Molecular Weight334.08 g/mol
Exact Mass333.97
IUPAC NameN-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(=O)NCI)ncn2c1=O
InChIInChI=1S/C7H7IN6O2/c1-13-7(16)14-3-10-4(5(14)11-12-13)6(15)9-2-8/h3H,2H2,1H3,(H,9,15)
InChIKeyFGEMOFZCTRANEC-UHFFFAOYSA-N
XLogP-1.05
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.08
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Caffeine
CID 2519
Theophylline
CID 2153
Theobromine
CID 5429
Guanine
CID 135398634
Paraxanthine
CID 4687
1-Methylxanthine
CID 80220
Hypoxanthine
CID 135398638
Temozolomide
CID 5394
7-Methylxanthine
CID 68374
3-Methylxanthine
CID 70639
7-Methylguanine
CID 135398679
Mitozolomide
CID 71766

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 178130242) is N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cn1nnc2c(C(=O)NCI)ncn2c1=O.
What is the InChIKey of N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is FGEMOFZCTRANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN6O2/c1-13-7(16)14-3-10-4(5(14)11-12-13)6(15)9-2-8/h3H,2H2,1H3,(H,9,15).
What are the key properties of N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 334.08 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 178130242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).