6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H15F3N6 — CID 24909708

IUPAC6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nn1)C2
InChIInChI=1S/C17H15F3N6/c18-17(19,20)16-21-8-12-9-25(7-6-15(12)22-16)10-13-11-26(24-23-13)14-4-2-1-3-5-14/h1-5,8,11H,6-7,9-10H2
InChIKeyXVTLRXHFLKFJBT-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.63
Rot. Bonds3

About 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909708) has the molecular formula C17H15F3N6 and a molecular weight of 360.34 g/mol. Its IUPAC name is 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909708
Molecular FormulaC17H15F3N6
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Name6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nn1)C2
InChIInChI=1S/C17H15F3N6/c18-17(19,20)16-21-8-12-9-25(7-6-15(12)22-16)10-13-11-26(24-23-13)14-4-2-1-3-5-14/h1-5,8,11H,6-7,9-10H2
InChIKeyXVTLRXHFLKFJBT-UHFFFAOYSA-N
XLogP2.63
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[(1-phenyltriazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24909720
6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909603
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912774
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
6-[(5-ethylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910044
6-[(3-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908745
6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909666
1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909267
6-[[6-(2-bromophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914244
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909330
1-[5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
CID 24910968
6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910065

Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909708) is 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nn1)C2.
What is the InChIKey of 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XVTLRXHFLKFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6/c18-17(19,20)16-21-8-12-9-25(7-6-15(12)22-16)10-13-11-26(24-23-13)14-4-2-1-3-5-14/h1-5,8,11H,6-7,9-10H2.
What are the key properties of 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 360.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).