N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

C6H10N4O2 — CID 83093519

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H10N4O2/c1-3-4(11)7-5-8-6(12-2)10-9-5/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeySNLGYHBEUXVRQI-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.16
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 83093519) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID83093519
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H10N4O2/c1-3-4(11)7-5-8-6(12-2)10-9-5/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeySNLGYHBEUXVRQI-UHFFFAOYSA-N
XLogP0.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (CID 83093519) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is CCC(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is SNLGYHBEUXVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-4(11)7-5-8-6(12-2)10-9-5/h3H2,1-2H3,(H2,7,8,9,10,11).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 170.17 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 83093519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).