butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate

C15H23N7O2 — CID 151135340

IUPACbutyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
SMILESCCCCOC(=O)N1Cc2nc(-c3nnnn3C)n(C(C)C)c2C1
InChIInChI=1S/C15H23N7O2/c1-5-6-7-24-15(23)21-8-11-12(9-21)22(10(2)3)13(16-11)14-17-18-19-20(14)4/h10H,5-9H2,1-4H3
InChIKeyMVCDMXZUROBJSH-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.91
Rot. Bonds5

About butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate

butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate (PubChem CID 151135340) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate.

Molecular Properties

Compound Namebutyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
PubChem CID151135340
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Namebutyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
SMILESCCCCOC(=O)N1Cc2nc(-c3nnnn3C)n(C(C)C)c2C1
InChIInChI=1S/C15H23N7O2/c1-5-6-7-24-15(23)21-8-11-12(9-21)22(10(2)3)13(16-11)14-17-18-19-20(14)4/h10H,5-9H2,1-4H3
InChIKeyMVCDMXZUROBJSH-UHFFFAOYSA-N
XLogP1.91
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate with MolForge

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Related Compounds

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butyl 4-(2-aminopropanoyl)piperazine-1-carboxylate
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butyl 3-(hydroxymethyl)azetidine-1-carboxylate
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butyl 3-aminoazetidine-1-carboxylate
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butyl 4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate
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butyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate
CID 164981371
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 150038372
butyl 4-[(2S)-2-aminobutanoyl]piperazine-1-carboxylate
CID 66713008
butyl 4-(2-aminobutanoyl)piperazine-1-carboxylate
CID 66713009
butyl 4-oxoazepane-1-carboxylate
CID 23137098

Frequently Asked Questions

What is the IUPAC name of butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate?
The IUPAC name of butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate (CID 151135340) is butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate.
What is the SMILES notation for butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate?
The canonical SMILES for butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate is CCCCOC(=O)N1Cc2nc(-c3nnnn3C)n(C(C)C)c2C1.
What is the InChIKey of butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate?
The InChIKey is MVCDMXZUROBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-5-6-7-24-15(23)21-8-11-12(9-21)22(10(2)3)13(16-11)14-17-18-19-20(14)4/h10H,5-9H2,1-4H3.
What are the key properties of butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate?
butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate has a molecular weight of 333.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate is sourced from PubChem (CID 151135340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).