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

C7H14N4O — CID 156527892

IUPACN-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide
SMILESCC(=O)NCC1=CN(C)N(C)N1
InChIInChI=1S/C7H14N4O/c1-6(12)8-4-7-5-10(2)11(3)9-7/h5,9H,4H2,1-3H3,(H,8,12)
InChIKeyRPCARUXWIBDVFL-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.74
Rot. Bonds2

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

N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide (PubChem CID 156527892) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide
PubChem CID156527892
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide
SMILESCC(=O)NCC1=CN(C)N(C)N1
InChIInChI=1S/C7H14N4O/c1-6(12)8-4-7-5-10(2)11(3)9-7/h5,9H,4H2,1-3H3,(H,8,12)
InChIKeyRPCARUXWIBDVFL-UHFFFAOYSA-N
XLogP-0.74
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide (CID 156527892) is N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide is CC(=O)NCC1=CN(C)N(C)N1.
What is the InChIKey of N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide?
The InChIKey is RPCARUXWIBDVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(12)8-4-7-5-10(2)11(3)9-7/h5,9H,4H2,1-3H3,(H,8,12).
What are the key properties of N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide?
N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide has a molecular weight of 170.22 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 156527892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).