N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

C10H17N5O3 — CID 55067228

IUPACN-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cc(CO)nn1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)12-9(18)11-8(17)5-15-4-7(6-16)13-14-15/h4,16H,5-6H2,1-3H3,(H2,11,12,17,18)
InChIKeyOLHOBAORPBJABN-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.61
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 55067228) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID55067228
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cc(CO)nn1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)12-9(18)11-8(17)5-15-4-7(6-16)13-14-15/h4,16H,5-6H2,1-3H3,(H2,11,12,17,18)
InChIKeyOLHOBAORPBJABN-UHFFFAOYSA-N
XLogP-0.61
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 106229672
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
CID 62400556
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (CID 55067228) is N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is CC(C)(C)NC(=O)NC(=O)Cn1cc(CO)nn1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is OLHOBAORPBJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,3)12-9(18)11-8(17)5-15-4-7(6-16)13-14-15/h4,16H,5-6H2,1-3H3,(H2,11,12,17,18).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide has a molecular weight of 255.28 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 55067228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).