N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

C9H16N4O3 — CID 66170276

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC(C)(O)CO)n1cncn1
InChIInChI=1S/C9H16N4O3/c1-7(13-6-10-5-12-13)8(15)11-3-9(2,16)4-14/h5-7,14,16H,3-4H2,1-2H3,(H,11,15)
InChIKeyPHGDLJVGHCFEFJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.30
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 66170276) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID66170276
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC(C)(O)CO)n1cncn1
InChIInChI=1S/C9H16N4O3/c1-7(13-6-10-5-12-13)8(15)11-3-9(2,16)4-14/h5-7,14,16H,3-4H2,1-2H3,(H,11,15)
InChIKeyPHGDLJVGHCFEFJ-UHFFFAOYSA-N
XLogP-1.30
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 66170276) is N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCC(C)(O)CO)n1cncn1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PHGDLJVGHCFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7(13-6-10-5-12-13)8(15)11-3-9(2,16)4-14/h5-7,14,16H,3-4H2,1-2H3,(H,11,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 228.25 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 66170276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).