N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H23N5O — CID 47023724

IUPACN-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)C(C)C(C)(C)C)nc2n1
InChIInChI=1S/C15H23N5O/c1-9-8-10(2)20-14(16-9)17-12(18-20)13(21)19(7)11(3)15(4,5)6/h8,11H,1-7H3
InChIKeyQSFLELBNLNQPDY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.25
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 47023724) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID47023724
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)C(C)C(C)(C)C)nc2n1
InChIInChI=1S/C15H23N5O/c1-9-8-10(2)20-14(16-9)17-12(18-20)13(21)19(7)11(3)15(4,5)6/h8,11H,1-7H3
InChIKeyQSFLELBNLNQPDY-UHFFFAOYSA-N
XLogP2.25
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 47023724) is N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)C(C)C(C)(C)C)nc2n1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QSFLELBNLNQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-8-10(2)20-14(16-9)17-12(18-20)13(21)19(7)11(3)15(4,5)6/h8,11H,1-7H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 47023724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).