N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C10H18N4O3 — CID 136778411

IUPACN-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-3-4-5-7(6-17-2)11-9(15)8-12-10(16)14-13-8/h7H,3-6H2,1-2H3,(H,11,15)(H2,12,13,14,16)/t7-/m1/s1
InChIKeyYQZRTWMFFWOLHQ-SSDOTTSWSA-N
MW242.28 g/mol
LogP0.03
Rot. Bonds7

About N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136778411) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136778411
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-3-4-5-7(6-17-2)11-9(15)8-12-10(16)14-13-8/h7H,3-6H2,1-2H3,(H,11,15)(H2,12,13,14,16)/t7-/m1/s1
InChIKeyYQZRTWMFFWOLHQ-SSDOTTSWSA-N
XLogP0.03
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 119795721
N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide
CID 95773573
5-ethyl-N-octan-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 114138257
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
3,5-dimethyl-N-octan-4-yl-1H-pyrazole-4-carboxamide
CID 113249951
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-(cyclopropylmethylamino)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795716
2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide
CID 119795719

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136778411) is N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is YQZRTWMFFWOLHQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-4-5-7(6-17-2)11-9(15)8-12-10(16)14-13-8/h7H,3-6H2,1-2H3,(H,11,15)(H2,12,13,14,16)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136778411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).