N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H17N5O2 — CID 46529231

IUPACN-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCC(C)NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C12H17N5O2/c1-7-5-9(3)17-12(14-7)15-10(16-17)11(18)13-8(2)6-19-4/h5,8H,6H2,1-4H3,(H,13,18)
InChIKeyQIEHTQUWOZRTLW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.51
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46529231) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46529231
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCC(C)NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C12H17N5O2/c1-7-5-9(3)17-12(14-7)15-10(16-17)11(18)13-8(2)6-19-4/h5,8H,6H2,1-4H3,(H,13,18)
InChIKeyQIEHTQUWOZRTLW-UHFFFAOYSA-N
XLogP0.51
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 55317836
N-(4-hydroxybutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 81042943
5,7-dimethyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43016401
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 79246835
(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357607
N-(2-methoxyethyl)-5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32953696
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
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78813142
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 46529231) is N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COCC(C)NC(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QIEHTQUWOZRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-5-9(3)17-12(14-7)15-10(16-17)11(18)13-8(2)6-19-4/h5,8H,6H2,1-4H3,(H,13,18).
What are the key properties of N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46529231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).