N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H19N5O2 — CID 79246835

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@H](CO)C(C)C)nc2n1
InChIInChI=1S/C13H19N5O2/c1-7(2)10(6-19)15-12(20)11-16-13-14-8(3)5-9(4)18(13)17-11/h5,7,10,19H,6H2,1-4H3,(H,15,20)/t10-/m1/s1
InChIKeyRHDRQBDGDKSFJD-SNVBAGLBSA-N
MW277.33 g/mol
LogP0.49
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 79246835) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID79246835
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@H](CO)C(C)C)nc2n1
InChIInChI=1S/C13H19N5O2/c1-7(2)10(6-19)15-12(20)11-16-13-14-8(3)5-9(4)18(13)17-11/h5,7,10,19H,6H2,1-4H3,(H,15,20)/t10-/m1/s1
InChIKeyRHDRQBDGDKSFJD-SNVBAGLBSA-N
XLogP0.49
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxybutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 81042943
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357607
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
5,7-dimethyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43016401
N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46529231
(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103716416
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674249
N-[(1R)-1-(1-adamantyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7695401
N-(4,6-dimethylpyrimidin-2-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 15883017
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207162

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 79246835) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N[C@H](CO)C(C)C)nc2n1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RHDRQBDGDKSFJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-7(2)10(6-19)15-12(20)11-16-13-14-8(3)5-9(4)18(13)17-11/h5,7,10,19H,6H2,1-4H3,(H,15,20)/t10-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 79246835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).