2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

C15H15N7O3 — CID 77082434

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESCc1cn(CC(=O)NCc2nnnn2-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15N7O3/c1-10-8-21(15(25)17-14(10)24)9-13(23)16-7-12-18-19-20-22(12)11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,23)(H,17,24,25)
InChIKeyQUPYREZVZPENTP-UHFFFAOYSA-N
MW341.33 g/mol
LogP-0.86
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (PubChem CID 77082434) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
PubChem CID77082434
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESCc1cn(CC(=O)NCc2nnnn2-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15N7O3/c1-10-8-21(15(25)17-14(10)24)9-13(23)16-7-12-18-19-20-22(12)11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,23)(H,17,24,25)
InChIKeyQUPYREZVZPENTP-UHFFFAOYSA-N
XLogP-0.86
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 70744033
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102461846
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56751374
(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131901994
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (CID 77082434) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is Cc1cn(CC(=O)NCc2nnnn2-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The InChIKey is QUPYREZVZPENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-10-8-21(15(25)17-14(10)24)9-13(23)16-7-12-18-19-20-22(12)11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,23)(H,17,24,25).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide has a molecular weight of 341.33 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 77082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).