2-methoxy-N-(3-methyltriazol-4-yl)propanamide

C7H12N4O2 — CID 131176185

IUPAC2-methoxy-N-(3-methyltriazol-4-yl)propanamide
SMILESCOC(C)C(=O)Nc1cnnn1C
InChIInChI=1S/C7H12N4O2/c1-5(13-3)7(12)9-6-4-8-10-11(6)2/h4-5H,1-3H3,(H,9,12)
InChIKeySRTLCPMUGALCIX-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.21
Rot. Bonds3

About 2-methoxy-N-(3-methyltriazol-4-yl)propanamide

2-methoxy-N-(3-methyltriazol-4-yl)propanamide (PubChem CID 131176185) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-methoxy-N-(3-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methyltriazol-4-yl)propanamide
PubChem CID131176185
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-methoxy-N-(3-methyltriazol-4-yl)propanamide
SMILESCOC(C)C(=O)Nc1cnnn1C
InChIInChI=1S/C7H12N4O2/c1-5(13-3)7(12)9-6-4-8-10-11(6)2/h4-5H,1-3H3,(H,9,12)
InChIKeySRTLCPMUGALCIX-UHFFFAOYSA-N
XLogP-0.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methyltriazol-4-yl)propanamide?
The IUPAC name of 2-methoxy-N-(3-methyltriazol-4-yl)propanamide (CID 131176185) is 2-methoxy-N-(3-methyltriazol-4-yl)propanamide.
What is the SMILES notation for 2-methoxy-N-(3-methyltriazol-4-yl)propanamide?
The canonical SMILES for 2-methoxy-N-(3-methyltriazol-4-yl)propanamide is COC(C)C(=O)Nc1cnnn1C.
What is the InChIKey of 2-methoxy-N-(3-methyltriazol-4-yl)propanamide?
The InChIKey is SRTLCPMUGALCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(13-3)7(12)9-6-4-8-10-11(6)2/h4-5H,1-3H3,(H,9,12).
What are the key properties of 2-methoxy-N-(3-methyltriazol-4-yl)propanamide?
2-methoxy-N-(3-methyltriazol-4-yl)propanamide has a molecular weight of 184.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 131176185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).