2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide

C14H18N4O — CID 59588452

IUPAC2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C(C)C
InChIInChI=1S/C14H18N4O/c1-10(2)14(19)15-9-13-11(3)16-18(17-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyYZMCOVVMYIYUAY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide

2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide (PubChem CID 59588452) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide
PubChem CID59588452
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C(C)C
InChIInChI=1S/C14H18N4O/c1-10(2)14(19)15-9-13-11(3)16-18(17-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyYZMCOVVMYIYUAY-UHFFFAOYSA-N
XLogP1.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide (CID 59588452) is 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide is Cc1nn(-c2ccccc2)nc1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide?
The InChIKey is YZMCOVVMYIYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)14(19)15-9-13-11(3)16-18(17-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,15,19).
What are the key properties of 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide?
2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 59588452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).