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

C5H8N4O2 — CID 104817287

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide
SMILESCCOc1n[nH]c(NC=O)n1
InChIInChI=1S/C5H8N4O2/c1-2-11-5-7-4(6-3-10)8-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyRRLZTZNPLIDNPO-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.23
Rot. Bonds4

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide (PubChem CID 104817287) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide
PubChem CID104817287
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide
SMILESCCOc1n[nH]c(NC=O)n1
InChIInChI=1S/C5H8N4O2/c1-2-11-5-7-4(6-3-10)8-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyRRLZTZNPLIDNPO-UHFFFAOYSA-N
XLogP-0.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116013257
1-methyl-3-[3-(methylcarbamoylamino)-1H-1,2,4-triazol-5-yl]urea
CID 57646313
ethyl N-(1H-1,2,4-triazol-5-yl)carbamate
CID 61216091
3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 123906391
ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 169237869
1-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methylurea
CID 83100933
3-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea
CID 83101166
1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
CID 83102315
propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
CID 83102321
ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
CID 83102540
N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide
CID 83102737
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817343

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide (CID 104817287) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide is CCOc1n[nH]c(NC=O)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide?
The InChIKey is RRLZTZNPLIDNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-11-5-7-4(6-3-10)8-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide has a molecular weight of 156.15 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide is sourced from PubChem (CID 104817287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).