N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide

C11H20N4O2 — CID 113476111

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)N(C)C(C)(C)CO)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-5-6-8-12-9(14-13-8)10(17)15(4)11(2,3)7-16/h16H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyVLIRCPKFWXUYJS-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.60
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 113476111) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID113476111
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)N(C)C(C)(C)CO)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-5-6-8-12-9(14-13-8)10(17)15(4)11(2,3)7-16/h16H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyVLIRCPKFWXUYJS-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
CID 113476032
methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
CID 107858360
methyl 3-[methyl-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]propanoate
CID 107858335
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
CID 63356019
N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107155419
N-(cyanomethyl)-5-propyl-N-prop-2-ynyl-1H-1,2,4-triazole-3-carboxamide
CID 114208934
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106609199
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
CID 114159090
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 113476111) is N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)N(C)C(C)(C)CO)n[nH]1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VLIRCPKFWXUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-6-8-12-9(14-13-8)10(17)15(4)11(2,3)7-16/h16H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 113476111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).