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

C12H15N7O3 — CID 134357723

IUPAC3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESC=C(C)C(=O)NCCNC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C12H15N7O3/c1-7(2)10(20)13-4-5-14-11(21)8-9-16-17-18(3)12(22)19(9)6-15-8/h6H,1,4-5H2,2-3H3,(H,13,20)(H,14,21)
InChIKeyWVAXYXZACQIFAZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP-1.75
Rot. Bonds5

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

3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 134357723) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID134357723
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESC=C(C)C(=O)NCCNC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C12H15N7O3/c1-7(2)10(20)13-4-5-14-11(21)8-9-16-17-18(3)12(22)19(9)6-15-8/h6H,1,4-5H2,2-3H3,(H,13,20)(H,14,21)
InChIKeyWVAXYXZACQIFAZ-UHFFFAOYSA-N
XLogP-1.75
TPSA123.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 134357723) is 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is C=C(C)C(=O)NCCNC(=O)c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is WVAXYXZACQIFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O3/c1-7(2)10(20)13-4-5-14-11(21)8-9-16-17-18(3)12(22)19(9)6-15-8/h6H,1,4-5H2,2-3H3,(H,13,20)(H,14,21).
What are the key properties of 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 305.30 g/mol, XLogP of -1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 134357723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).