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

C7H11N5O2 — CID 68516048

IUPAC3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C7H11N5O2/c8-5(13)6-9-7(11-10-6)12-1-3-14-4-2-12/h1-4H2,(H2,8,13)(H,9,10,11)
InChIKeyNTOXVTTXIRDZBK-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.26
Rot. Bonds2

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

3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 68516048) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide
PubChem CID68516048
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C7H11N5O2/c8-5(13)6-9-7(11-10-6)12-1-3-14-4-2-12/h1-4H2,(H2,8,13)(H,9,10,11)
InChIKeyNTOXVTTXIRDZBK-UHFFFAOYSA-N
XLogP-1.26
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide (CID 68516048) is 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide is NC(=O)c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NTOXVTTXIRDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-5(13)6-9-7(11-10-6)12-1-3-14-4-2-12/h1-4H2,(H2,8,13)(H,9,10,11).
What are the key properties of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide?
3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 197.20 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 68516048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).