2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide

C13H25N5O — CID 114419810

IUPAC2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C13H25N5O/c1-9(2)5-6-10(3)15-13(19)8-18-7-12(11(4)14)16-17-18/h7,9-11H,5-6,8,14H2,1-4H3,(H,15,19)
InChIKeyAAKRLYUGZXSTMD-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide

2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide (PubChem CID 114419810) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
PubChem CID114419810
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C13H25N5O/c1-9(2)5-6-10(3)15-13(19)8-18-7-12(11(4)14)16-17-18/h7,9-11H,5-6,8,14H2,1-4H3,(H,15,19)
InChIKeyAAKRLYUGZXSTMD-UHFFFAOYSA-N
XLogP1.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
2-[4-(4-aminobutyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 106209480
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66216759
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-[4-(1-aminoethyl)triazol-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 114419583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide (CID 114419810) is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)Cn1cc(C(C)N)nn1.
What is the InChIKey of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is AAKRLYUGZXSTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9(2)5-6-10(3)15-13(19)8-18-7-12(11(4)14)16-17-18/h7,9-11H,5-6,8,14H2,1-4H3,(H,15,19).
What are the key properties of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide?
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 267.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 114419810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).