1-(methoxymethyl)-1,2,4-triazole-3-carboxamide

C5H8N4O2 — CID 57269370

IUPAC1-(methoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESCOCn1cnc(C(N)=O)n1
InChIInChI=1S/C5H8N4O2/c1-11-3-9-2-7-5(8-9)4(6)10/h2H,3H2,1H3,(H2,6,10)
InChIKeyLIRSXNSPAJAEBL-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.02
Rot. Bonds3

About 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide

1-(methoxymethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 57269370) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-1,2,4-triazole-3-carboxamide
PubChem CID57269370
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1-(methoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESCOCn1cnc(C(N)=O)n1
InChIInChI=1S/C5H8N4O2/c1-11-3-9-2-7-5(8-9)4(6)10/h2H,3H2,1H3,(H2,6,10)
InChIKeyLIRSXNSPAJAEBL-UHFFFAOYSA-N
XLogP-1.02
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide (CID 57269370) is 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide is COCn1cnc(C(N)=O)n1.
What is the InChIKey of 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is LIRSXNSPAJAEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-11-3-9-2-7-5(8-9)4(6)10/h2H,3H2,1H3,(H2,6,10).
What are the key properties of 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
1-(methoxymethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 156.15 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 57269370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).