N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide

C14H17N5O2 — CID 103548715

IUPACN-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(NCC1COCCN1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O2/c20-14(16-8-11-10-21-7-6-15-11)13-9-17-19(18-13)12-4-2-1-3-5-12/h1-5,9,11,15H,6-8,10H2,(H,16,20)
InChIKeyBMGAYWSSOZQPCH-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.01
Rot. Bonds4

About N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide

N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide (PubChem CID 103548715) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide
PubChem CID103548715
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(NCC1COCCN1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O2/c20-14(16-8-11-10-21-7-6-15-11)13-9-17-19(18-13)12-4-2-1-3-5-12/h1-5,9,11,15H,6-8,10H2,(H,16,20)
InChIKeyBMGAYWSSOZQPCH-UHFFFAOYSA-N
XLogP-0.01
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide
CID 126851544
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 175783320
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
2-hydroxy-N-(morpholin-3-ylmethyl)-2-phenylacetamide
CID 103548723
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548345
2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 103548664

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide (CID 103548715) is N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide is O=C(NCC1COCCN1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is BMGAYWSSOZQPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(16-8-11-10-21-7-6-15-11)13-9-17-19(18-13)12-4-2-1-3-5-12/h1-5,9,11,15H,6-8,10H2,(H,16,20).
What are the key properties of N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 103548715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).