N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide

C10H16N4O2 — CID 99873884

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@](C)(O)C2CC2)nn1
InChIInChI=1S/C10H16N4O2/c1-10(16,7-3-4-7)6-11-9(15)8-5-14(2)13-12-8/h5,7,16H,3-4,6H2,1-2H3,(H,11,15)/t10-/m0/s1
InChIKeyNGGNYOYSCJSHRP-JTQLQIEISA-N
MW224.26 g/mol
LogP-0.29
Rot. Bonds4

About N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide (PubChem CID 99873884) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
PubChem CID99873884
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@](C)(O)C2CC2)nn1
InChIInChI=1S/C10H16N4O2/c1-10(16,7-3-4-7)6-11-9(15)8-5-14(2)13-12-8/h5,7,16H,3-4,6H2,1-2H3,(H,11,15)/t10-/m0/s1
InChIKeyNGGNYOYSCJSHRP-JTQLQIEISA-N
XLogP-0.29
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide
CID 126785756
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873773
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873774
1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide
CID 90238996
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
N-(4-bromo-3,3-dimethylbutyl)-1-methyltriazole-4-carboxamide
CID 164663050
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide (CID 99873884) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NC[C@](C)(O)C2CC2)nn1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide?
The InChIKey is NGGNYOYSCJSHRP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(16,7-3-4-7)6-11-9(15)8-5-14(2)13-12-8/h5,7,16H,3-4,6H2,1-2H3,(H,11,15)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 99873884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).