2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide

C10H17N5O2 — CID 110691363

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C10H17N5O2/c1-14-12-8-9(13-14)10(16)11-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,11,16)
InChIKeyDCACQONBIWTDSM-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.12
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide (PubChem CID 110691363) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
PubChem CID110691363
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C10H17N5O2/c1-14-12-8-9(13-14)10(16)11-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,11,16)
InChIKeyDCACQONBIWTDSM-UHFFFAOYSA-N
XLogP-1.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
5-(methylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 107374273
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
1-(methoxymethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19270984
7-(1,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468313
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273701
N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110849651
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide (CID 110691363) is 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide is Cn1ncc(C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is DCACQONBIWTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-12-8-9(13-14)10(16)11-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,11,16).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 110691363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).