2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide

C11H17N7O — CID 114778822

IUPAC2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCCn2ccnc2)nn1
InChIInChI=1S/C11H17N7O/c12-6-11(19)14-7-10-8-18(16-15-10)4-1-3-17-5-2-13-9-17/h2,5,8-9H,1,3-4,6-7,12H2,(H,14,19)
InChIKeyDUKHAXHKOLBPND-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.86
Rot. Bonds7

About 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778822) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
PubChem CID114778822
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCCn2ccnc2)nn1
InChIInChI=1S/C11H17N7O/c12-6-11(19)14-7-10-8-18(16-15-10)4-1-3-17-5-2-13-9-17/h2,5,8-9H,1,3-4,6-7,12H2,(H,14,19)
InChIKeyDUKHAXHKOLBPND-UHFFFAOYSA-N
XLogP-0.86
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
CID 62055653
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]acetic acid
CID 107461840
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268182
methyl 1-(3-imidazol-1-ylpropyl)triazole-4-carboxylate
CID 104601011
2-amino-3-[1-(2-imidazol-1-ylethyl)triazol-4-yl]propanoic acid
CID 116735014
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-[2-(4-bromophenoxy)ethyl]triazol-4-yl]methyl]acetamide
CID 114778611
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide (CID 114778822) is 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CCCn2ccnc2)nn1.
What is the InChIKey of 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide?
The InChIKey is DUKHAXHKOLBPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c12-6-11(19)14-7-10-8-18(16-15-10)4-1-3-17-5-2-13-9-17/h2,5,8-9H,1,3-4,6-7,12H2,(H,14,19).
What are the key properties of 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide has a molecular weight of 263.31 g/mol, XLogP of -0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).