N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H22N6O — CID 64510261

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nc(CN(C)C(=O)CCc2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C14H22N6O/c1-9-12(10(2)20(5)18-9)6-7-14(21)19(4)8-13-15-11(3)16-17-13/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyGWMANIPETFMAND-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 64510261) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID64510261
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nc(CN(C)C(=O)CCc2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C14H22N6O/c1-9-12(10(2)20(5)18-9)6-7-14(21)19(4)8-13-15-11(3)16-17-13/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyGWMANIPETFMAND-UHFFFAOYSA-N
XLogP1.05
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 64510261) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nc(CN(C)C(=O)CCc2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GWMANIPETFMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9-12(10(2)20(5)18-9)6-7-14(21)19(4)8-13-15-11(3)16-17-13/h6-8H2,1-5H3,(H,15,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 64510261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).