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

C11H14N6O2 — CID 64512735

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(CN(C)C(=O)Cn2cccnc2=O)n[nH]1
InChIInChI=1S/C11H14N6O2/c1-8-13-9(15-14-8)6-16(2)10(18)7-17-5-3-4-12-11(17)19/h3-5H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyPCDPVHZTYIKZMB-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.67
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 64512735) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID64512735
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(CN(C)C(=O)Cn2cccnc2=O)n[nH]1
InChIInChI=1S/C11H14N6O2/c1-8-13-9(15-14-8)6-16(2)10(18)7-17-5-3-4-12-11(17)19/h3-5H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyPCDPVHZTYIKZMB-UHFFFAOYSA-N
XLogP-0.67
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 64512735) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is Cc1nc(CN(C)C(=O)Cn2cccnc2=O)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is PCDPVHZTYIKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-8-13-9(15-14-8)6-16(2)10(18)7-17-5-3-4-12-11(17)19/h3-5H,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 64512735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).