N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H13F3N6OS — CID 138000189

IUPACN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)c1nc2n(n1)CCCN2
InChIInChI=1S/C12H13F3N6OS/c1-20(5-8-17-7(6-23-8)12(13,14)15)10(22)9-18-11-16-3-2-4-21(11)19-9/h6H,2-5H2,1H3,(H,16,18,19)
InChIKeyHSCFGUJHWIDCHR-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138000189) has the molecular formula C12H13F3N6OS and a molecular weight of 346.34 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138000189
Molecular FormulaC12H13F3N6OS
Molecular Weight346.34 g/mol
Exact Mass346.08
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)c1nc2n(n1)CCCN2
InChIInChI=1S/C12H13F3N6OS/c1-20(5-8-17-7(6-23-8)12(13,14)15)10(22)9-18-11-16-3-2-4-21(11)19-9/h6H,2-5H2,1H3,(H,16,18,19)
InChIKeyHSCFGUJHWIDCHR-UHFFFAOYSA-N
XLogP1.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138000189) is N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1nc2n(n1)CCCN2.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HSCFGUJHWIDCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6OS/c1-20(5-8-17-7(6-23-8)12(13,14)15)10(22)9-18-11-16-3-2-4-21(11)19-9/h6H,2-5H2,1H3,(H,16,18,19).
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138000189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).