1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide

C9H8F3N7O2 — CID 86763472

IUPAC1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESCn1nnnc1NC(=O)c1ncc(C(F)(F)F)c(=O)n1C
InChIInChI=1S/C9H8F3N7O2/c1-18-5(6(20)14-8-15-16-17-19(8)2)13-3-4(7(18)21)9(10,11)12/h3H,1-2H3,(H,14,15,17,20)
InChIKeyPWMDTMPTKJHYLD-UHFFFAOYSA-N
MW303.20 g/mol
LogP-0.43
Rot. Bonds2

About 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide

1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide (PubChem CID 86763472) has the molecular formula C9H8F3N7O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide
PubChem CID86763472
Molecular FormulaC9H8F3N7O2
Molecular Weight303.20 g/mol
Exact Mass303.07
IUPAC Name1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESCn1nnnc1NC(=O)c1ncc(C(F)(F)F)c(=O)n1C
InChIInChI=1S/C9H8F3N7O2/c1-18-5(6(20)14-8-15-16-17-19(8)2)13-3-4(7(18)21)9(10,11)12/h3H,1-2H3,(H,14,15,17,20)
InChIKeyPWMDTMPTKJHYLD-UHFFFAOYSA-N
XLogP-0.43
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
1-methyl-3-(1-methyltetrazol-5-yl)urea
CID 130735572
(1-methyltetrazol-5-yl)urea
CID 130674530
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368096
2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134353877
(5-chloro-1-methyl-6-oxo-2-pyridinyl) N-(1-methyltetrazol-5-yl)carbamate
CID 90010261
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155191375
2-bromo-N-(1-methyltetrazol-5-yl)acetamide
CID 155684843

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The IUPAC name of 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide (CID 86763472) is 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide is Cn1nnnc1NC(=O)c1ncc(C(F)(F)F)c(=O)n1C.
What is the InChIKey of 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The InChIKey is PWMDTMPTKJHYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N7O2/c1-18-5(6(20)14-8-15-16-17-19(8)2)13-3-4(7(18)21)9(10,11)12/h3H,1-2H3,(H,14,15,17,20).
What are the key properties of 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide?
1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide has a molecular weight of 303.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 86763472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).