2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide

C14H27N5O — CID 66194455

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCNCc1cn(CC(=O)NC(C)CCCC(C)C)nn1
InChIInChI=1S/C14H27N5O/c1-11(2)6-5-7-12(3)16-14(20)10-19-9-13(8-15-4)17-18-19/h9,11-12,15H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyZHWCDIMPNPDUBI-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.33
Rot. Bonds9

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 66194455) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
PubChem CID66194455
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCNCc1cn(CC(=O)NC(C)CCCC(C)C)nn1
InChIInChI=1S/C14H27N5O/c1-11(2)6-5-7-12(3)16-14(20)10-19-9-13(8-15-4)17-18-19/h9,11-12,15H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyZHWCDIMPNPDUBI-UHFFFAOYSA-N
XLogP1.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794
2-[4-(4-aminobutyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 106209480
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 66215249
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461255
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide (CID 66194455) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide is CNCc1cn(CC(=O)NC(C)CCCC(C)C)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is ZHWCDIMPNPDUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11(2)6-5-7-12(3)16-14(20)10-19-9-13(8-15-4)17-18-19/h9,11-12,15H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 66194455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).