N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C8H13N5O2 — CID 103548664

IUPACN-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCC1COCCN1)c1ncn[nH]1
InChIInChI=1S/C8H13N5O2/c14-8(7-11-5-12-13-7)10-3-6-4-15-2-1-9-6/h5-6,9H,1-4H2,(H,10,14)(H,11,12,13)
InChIKeyLNLJDZBKBYHIRY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.48
Rot. Bonds3

About N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103548664) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID103548664
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCC1COCCN1)c1ncn[nH]1
InChIInChI=1S/C8H13N5O2/c14-8(7-11-5-12-13-7)10-3-6-4-15-2-1-9-6/h5-6,9H,1-4H2,(H,10,14)(H,11,12,13)
InChIKeyLNLJDZBKBYHIRY-UHFFFAOYSA-N
XLogP-1.48
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
5-methyl-N-(morpholin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 103548403
morpholin-3-ylmethylurea
CID 103548775
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
5-methyl-N-(morpholin-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 103548596
1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548575
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
3-ethyl-6-methyl-N-(morpholin-3-ylmethyl)pyridazine-4-carboxamide
CID 103548617

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 103548664) is N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCC1COCCN1)c1ncn[nH]1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LNLJDZBKBYHIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-8(7-11-5-12-13-7)10-3-6-4-15-2-1-9-6/h5-6,9H,1-4H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103548664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).