N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H19N5O — CID 47163756

IUPACN-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H19N5O/c1-6-9(3)17(5)12(19)11-15-13-14-8(2)7-10(4)18(13)16-11/h7,9H,6H2,1-5H3
InChIKeyRYVGNPBDZNDWDN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.61
Rot. Bonds3

About N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 47163756) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID47163756
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H19N5O/c1-6-9(3)17(5)12(19)11-15-13-14-8(2)7-10(4)18(13)16-11/h7,9H,6H2,1-5H3
InChIKeyRYVGNPBDZNDWDN-UHFFFAOYSA-N
XLogP1.61
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 47163756) is N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCC(C)N(C)C(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RYVGNPBDZNDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-6-9(3)17(5)12(19)11-15-13-14-8(2)7-10(4)18(13)16-11/h7,9H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 47163756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).