N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide

C16H23F3N6O — CID 91058059

IUPACN,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
SMILESCNc1nc(C(F)(F)F)nc2c(CCCCCCC(=O)N(C)C)cnn12
InChIInChI=1S/C16H23F3N6O/c1-20-15-23-14(16(17,18)19)22-13-11(10-21-25(13)15)8-6-4-5-7-9-12(26)24(2)3/h10H,4-9H2,1-3H3,(H,20,22,23)
InChIKeyQGYLNRMDZHEQSU-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.77
Rot. Bonds8

About N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide

N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide (PubChem CID 91058059) has the molecular formula C16H23F3N6O and a molecular weight of 372.40 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
PubChem CID91058059
Molecular FormulaC16H23F3N6O
Molecular Weight372.40 g/mol
Exact Mass372.19
IUPAC NameN,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
SMILESCNc1nc(C(F)(F)F)nc2c(CCCCCCC(=O)N(C)C)cnn12
InChIInChI=1S/C16H23F3N6O/c1-20-15-23-14(16(17,18)19)22-13-11(10-21-25(13)15)8-6-4-5-7-9-12(26)24(2)3/h10H,4-9H2,1-3H3,(H,20,22,23)
InChIKeyQGYLNRMDZHEQSU-UHFFFAOYSA-N
XLogP2.77
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2-cyclopentylacetamide
CID 91813789
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl carbamate
CID 69869366
N-hydroxy-3-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 9861266
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-4,4,4-trifluorobutanamide
CID 92073348
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 121144994
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2,2,2-trifluoroacetamide
CID 121144997
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2,2,3,3,3-pentafluoropropanamide
CID 121145000
N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine
CID 10041646
N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
CID 10265557
N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 10399844
8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 11722590

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
The IUPAC name of N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide (CID 91058059) is N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide.
What is the SMILES notation for N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
The canonical SMILES for N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide is CNc1nc(C(F)(F)F)nc2c(CCCCCCC(=O)N(C)C)cnn12.
What is the InChIKey of N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
The InChIKey is QGYLNRMDZHEQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N6O/c1-20-15-23-14(16(17,18)19)22-13-11(10-21-25(13)15)8-6-4-5-7-9-12(26)24(2)3/h10H,4-9H2,1-3H3,(H,20,22,23).
What are the key properties of N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide?
N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide has a molecular weight of 372.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide is sourced from PubChem (CID 91058059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).