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

C4H6N4O2 — CID 83102737

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide
SMILESCOc1n[nH]c(NC=O)n1
InChIInChI=1S/C4H6N4O2/c1-10-4-6-3(5-2-9)7-8-4/h2H,1H3,(H2,5,6,7,8,9)
InChIKeyRUZGLUBPXSAQEW-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.62
Rot. Bonds3

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide (PubChem CID 83102737) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide
PubChem CID83102737
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide
SMILESCOc1n[nH]c(NC=O)n1
InChIInChI=1S/C4H6N4O2/c1-10-4-6-3(5-2-9)7-8-4/h2H,1H3,(H2,5,6,7,8,9)
InChIKeyRUZGLUBPXSAQEW-UHFFFAOYSA-N
XLogP-0.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide (CID 83102737) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide is COc1n[nH]c(NC=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide?
The InChIKey is RUZGLUBPXSAQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-10-4-6-3(5-2-9)7-8-4/h2H,1H3,(H2,5,6,7,8,9).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide has a molecular weight of 142.12 g/mol, XLogP of -0.62, 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)formamide is sourced from PubChem (CID 83102737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).