2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C9H15N5O2 — CID 64511437

IUPAC2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(=O)NC(C)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H15N5O2/c1-6(12-7(2)15)9(16)14(3)4-8-10-5-11-13-8/h5-6H,4H2,1-3H3,(H,12,15)(H,10,11,13)
InChIKeyGJEMHJCANMPGGQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.71
Rot. Bonds4

About 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64511437) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64511437
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(=O)NC(C)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H15N5O2/c1-6(12-7(2)15)9(16)14(3)4-8-10-5-11-13-8/h5-6H,4H2,1-3H3,(H,12,15)(H,10,11,13)
InChIKeyGJEMHJCANMPGGQ-UHFFFAOYSA-N
XLogP-0.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64511437) is 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(=O)NC(C)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is GJEMHJCANMPGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6(12-7(2)15)9(16)14(3)4-8-10-5-11-13-8/h5-6H,4H2,1-3H3,(H,12,15)(H,10,11,13).
What are the key properties of 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 225.25 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64511437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).