N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide

C13H23N5O2 — CID 47338319

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn[nH]n1)N1CCOCC1
InChIInChI=1S/C13H23N5O2/c1-10(2)7-11(18-3-5-20-6-4-18)8-14-13(19)12-9-15-17-16-12/h9-11H,3-8H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyACDSYJKTOBEBNX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.28
Rot. Bonds6

About N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide (PubChem CID 47338319) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide
PubChem CID47338319
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn[nH]n1)N1CCOCC1
InChIInChI=1S/C13H23N5O2/c1-10(2)7-11(18-3-5-20-6-4-18)8-14-13(19)12-9-15-17-16-12/h9-11H,3-8H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyACDSYJKTOBEBNX-UHFFFAOYSA-N
XLogP0.28
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylbutyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 53509796
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 56784345
N-(4-methylcyclohexyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146781
1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide
CID 42397172
N-(1,4-dioxan-2-ylmethyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146806
N-(2-methoxyethyl)-1-(piperidin-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 50965089
N-[(3R,4S)-1-(3-hydroxypropyl)-4-propylpyrrolidin-3-yl]-2H-triazole-4-carboxamide
CID 72861571
N-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
N-{3-[2-(hydroxymethyl)piperidin-1-yl]propyl}-1H-1,2,3-triazole-5-carboxamide
CID 74251046
2-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 137973131
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide
CID 164638739
(3S)-4-[1-(2-methoxyethyl)triazole-4-carbonyl]-3-propylpiperazin-2-one
CID 164639741

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide (CID 47338319) is N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide is CC(C)CC(CNC(=O)c1cn[nH]n1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide?
The InChIKey is ACDSYJKTOBEBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)7-11(18-3-5-20-6-4-18)8-14-13(19)12-9-15-17-16-12/h9-11H,3-8H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).