5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H13F3N6O — CID 60502958

IUPAC5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(OCC(F)(F)F)nc2)n2ncnc2n1
InChIInChI=1S/C14H13F3N6O/c1-9-4-11(23-13(22-9)20-8-21-23)18-5-10-2-3-12(19-6-10)24-7-14(15,16)17/h2-4,6,8,18H,5,7H2,1H3
InChIKeyXBNSELRWDNKBCZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.38
Rot. Bonds5

About 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 60502958) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID60502958
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC Name5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(OCC(F)(F)F)nc2)n2ncnc2n1
InChIInChI=1S/C14H13F3N6O/c1-9-4-11(23-13(22-9)20-8-21-23)18-5-10-2-3-12(19-6-10)24-7-14(15,16)17/h2-4,6,8,18H,5,7H2,1H3
InChIKeyXBNSELRWDNKBCZ-UHFFFAOYSA-N
XLogP2.38
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
5-methyl-N-[[4-(3-methylphenyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307758
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293620
5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263432
4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine
CID 60502890
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
N-[[2-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;propan-2-ol
CID 145221152

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 60502958) is 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc(OCC(F)(F)F)nc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XBNSELRWDNKBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c1-9-4-11(23-13(22-9)20-8-21-23)18-5-10-2-3-12(19-6-10)24-7-14(15,16)17/h2-4,6,8,18H,5,7H2,1H3.
What are the key properties of 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 338.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 60502958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).