5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C6H8F3N5 — CID 136840331

IUPAC5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nnnc2N1
InChIInChI=1S/C6H8F3N5/c1-3-2-4(6(7,8)9)14-5(10-3)11-12-13-14/h3-4H,2H2,1H3,(H,10,11,13)
InChIKeyVJLQUXZFLLAUSO-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.98
Rot. Bonds

About 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136840331) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136840331
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nnnc2N1
InChIInChI=1S/C6H8F3N5/c1-3-2-4(6(7,8)9)14-5(10-3)11-12-13-14/h3-4H,2H2,1H3,(H,10,11,13)
InChIKeyVJLQUXZFLLAUSO-UHFFFAOYSA-N
XLogP0.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744111
(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135766965
4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
CID 136837676
7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840343
(5R,7S)-5-methyl-2-piperidin-4-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137028271
5-methyl-2-(oxan-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841276
3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
CID 136710312
5-methyl-2-(5-methylthiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840044
2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841136
5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709569
5-methyl-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136837911
1-methyl-3-[[(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]thiourea
CID 136786181

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136840331) is 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is CC1CC(C(F)(F)F)n2nnnc2N1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is VJLQUXZFLLAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c1-3-2-4(6(7,8)9)14-5(10-3)11-12-13-14/h3-4H,2H2,1H3,(H,10,11,13).
What are the key properties of 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 207.16 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).