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

C9H16N4O3 — CID 66168569

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(O)(CO)CNC(=O)CCn1cncn1
InChIInChI=1S/C9H16N4O3/c1-9(16,5-14)4-11-8(15)2-3-13-7-10-6-12-13/h6-7,14,16H,2-5H2,1H3,(H,11,15)
InChIKeyJRVZZWUDNPVOKQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.47
Rot. Bonds6

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

N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 66168569) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID66168569
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(O)(CO)CNC(=O)CCn1cncn1
InChIInChI=1S/C9H16N4O3/c1-9(16,5-14)4-11-8(15)2-3-13-7-10-6-12-13/h6-7,14,16H,2-5H2,1H3,(H,11,15)
InChIKeyJRVZZWUDNPVOKQ-UHFFFAOYSA-N
XLogP-1.47
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66181091
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113258923
N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113348269
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 66170276
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 66168569) is N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(O)(CO)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JRVZZWUDNPVOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-9(16,5-14)4-11-8(15)2-3-13-7-10-6-12-13/h6-7,14,16H,2-5H2,1H3,(H,11,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 228.25 g/mol, XLogP of -1.47, 6 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)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 66168569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).