N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide

C10H18N6O2 — CID 114419547

IUPACN-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C10H18N6O2/c1-7(11)9-5-16(15-14-9)6-10(18)13-4-3-12-8(2)17/h5,7H,3-4,6,11H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyWMPOGJPNXKHHSX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.45
Rot. Bonds6

About N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide

N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide (PubChem CID 114419547) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
PubChem CID114419547
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C10H18N6O2/c1-7(11)9-5-16(15-14-9)6-10(18)13-4-3-12-8(2)17/h5,7H,3-4,6,11H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyWMPOGJPNXKHHSX-UHFFFAOYSA-N
XLogP-1.45
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-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-(1-aminoethyl)triazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 114419663
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419537
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 114420083

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide (CID 114419547) is N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide is CC(=O)NCCNC(=O)Cn1cc(C(C)N)nn1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
The InChIKey is WMPOGJPNXKHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-7(11)9-5-16(15-14-9)6-10(18)13-4-3-12-8(2)17/h5,7H,3-4,6,11H2,1-2H3,(H,12,17)(H,13,18).
What are the key properties of N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 114419547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).