5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide

C8H13N5O2 — CID 83023643

IUPAC5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NN2CCOCC2)n[nH]1
InChIInChI=1S/C8H13N5O2/c1-6-9-7(11-10-6)8(14)12-13-2-4-15-5-3-13/h2-5H2,1H3,(H,12,14)(H,9,10,11)
InChIKeyDDQREISDPFOULJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.91
Rot. Bonds2

About 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide

5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 83023643) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID83023643
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NN2CCOCC2)n[nH]1
InChIInChI=1S/C8H13N5O2/c1-6-9-7(11-10-6)8(14)12-13-2-4-15-5-3-13/h2-5H2,1H3,(H,12,14)(H,9,10,11)
InChIKeyDDQREISDPFOULJ-UHFFFAOYSA-N
XLogP-0.91
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide (CID 83023643) is 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NN2CCOCC2)n[nH]1.
What is the InChIKey of 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is DDQREISDPFOULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-6-9-7(11-10-6)8(14)12-13-2-4-15-5-3-13/h2-5H2,1H3,(H,12,14)(H,9,10,11).
What are the key properties of 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide?
5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 83023643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).