2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide

C17H24FN5O — CID 71866846

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCc1nnc(CN(C)CC(=O)NC(C)(C)c2ccc(F)cc2)n1C
InChIInChI=1S/C17H24FN5O/c1-12-20-21-15(23(12)5)10-22(4)11-16(24)19-17(2,3)13-6-8-14(18)9-7-13/h6-9H,10-11H2,1-5H3,(H,19,24)
InChIKeyJTWZSYPWQIVLAH-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.75
Rot. Bonds6

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide (PubChem CID 71866846) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
PubChem CID71866846
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCc1nnc(CN(C)CC(=O)NC(C)(C)c2ccc(F)cc2)n1C
InChIInChI=1S/C17H24FN5O/c1-12-20-21-15(23(12)5)10-22(4)11-16(24)19-17(2,3)13-6-8-14(18)9-7-13/h6-9H,10-11H2,1-5H3,(H,19,24)
InChIKeyJTWZSYPWQIVLAH-UHFFFAOYSA-N
XLogP1.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide (CID 71866846) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide is Cc1nnc(CN(C)CC(=O)NC(C)(C)c2ccc(F)cc2)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
The InChIKey is JTWZSYPWQIVLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-12-20-21-15(23(12)5)10-22(4)11-16(24)19-17(2,3)13-6-8-14(18)9-7-13/h6-9H,10-11H2,1-5H3,(H,19,24).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 71866846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).