2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide

C12H23N5O2 — CID 66205010

IUPAC2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCOCCNCc1cn(C(C)C(=O)NC(C)C)nn1
InChIInChI=1S/C12H23N5O2/c1-9(2)14-12(18)10(3)17-8-11(15-16-17)7-13-5-6-19-4/h8-10,13H,5-7H2,1-4H3,(H,14,18)
InChIKeyLUXPIOQTYCYDKX-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.10
Rot. Bonds8

About 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide

2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 66205010) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID66205010
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCOCCNCc1cn(C(C)C(=O)NC(C)C)nn1
InChIInChI=1S/C12H23N5O2/c1-9(2)14-12(18)10(3)17-8-11(15-16-17)7-13-5-6-19-4/h8-10,13H,5-7H2,1-4H3,(H,14,18)
InChIKeyLUXPIOQTYCYDKX-UHFFFAOYSA-N
XLogP0.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
1-cyclopropyl-N-[1-(2-methoxyethyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219943
1-(Azetidin-3-YL)-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 79316532
1-{1-[(Butan-2-YL)carbamoyl]azetidin-3-YL}-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 91911473
ethyl (2R)-3-sulfanyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]propanoate; zinc
CID 155924031
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]butanoate; nickel
CID 155924052
methyl (2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoate; nickel
CID 155924117
ethyl (2R)-3-sulfanyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]propanoate; nickel
CID 155924747
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]butanoate; zinc
CID 155924878
copper; methyl (2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoate
CID 155925353
methyl (2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoate; zinc
CID 155925502
copper; methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 155925749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide (CID 66205010) is 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide is COCCNCc1cn(C(C)C(=O)NC(C)C)nn1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is LUXPIOQTYCYDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-9(2)14-12(18)10(3)17-8-11(15-16-17)7-13-5-6-19-4/h8-10,13H,5-7H2,1-4H3,(H,14,18).
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide?
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 66205010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).