N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H21N5O — CID 134015230

IUPACN-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCN(CC)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C14H21N5O/c1-5-7-8-18(6-2)13(20)12-16-14-15-10(3)9-11(4)19(14)17-12/h9H,5-8H2,1-4H3
InChIKeyYCIHEDGIISDFHQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.00
Rot. Bonds5

About N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 134015230) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID134015230
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCN(CC)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C14H21N5O/c1-5-7-8-18(6-2)13(20)12-16-14-15-10(3)9-11(4)19(14)17-12/h9H,5-8H2,1-4H3
InChIKeyYCIHEDGIISDFHQ-UHFFFAOYSA-N
XLogP2.00
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-ethylamino]propanoic acid
CID 61007778
N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-methylbenzamide
CID 50749195
N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50749194
N-(3-aminopropyl)-N-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120649689
N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 146084823
N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47163756
N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 61039898
N-(2-methoxyethyl)-5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32953696
N-ethyl-5,7-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 94174774
N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 95322433
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]butanoate
CID 39491200
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 134015230) is N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCCN(CC)C(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YCIHEDGIISDFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-7-8-18(6-2)13(20)12-16-14-15-10(3)9-11(4)19(14)17-12/h9H,5-8H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 134015230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).