N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C14H22N6O — CID 121495742

IUPACN-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCCN(C)C(C)(C)CNC(=O)c1nnc2nc(C)ccn12
InChIInChI=1S/C14H22N6O/c1-6-19(5)14(3,4)9-15-12(21)11-17-18-13-16-10(2)7-8-20(11)13/h7-8H,6,9H2,1-5H3,(H,15,21)
InChIKeySECVNZNDDCLCDB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds5

About N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 121495742) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID121495742
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCCN(C)C(C)(C)CNC(=O)c1nnc2nc(C)ccn12
InChIInChI=1S/C14H22N6O/c1-6-19(5)14(3,4)9-15-12(21)11-17-18-13-16-10(2)7-8-20(11)13/h7-8H,6,9H2,1-5H3,(H,15,21)
InChIKeySECVNZNDDCLCDB-UHFFFAOYSA-N
XLogP0.89
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 77082153
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 157012047
7-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 118764235
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126448335
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide
CID 134709498
5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide
CID 134695637
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 56756846
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 121495742) is N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is CCN(C)C(C)(C)CNC(=O)c1nnc2nc(C)ccn12.
What is the InChIKey of N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is SECVNZNDDCLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-6-19(5)14(3,4)9-15-12(21)11-17-18-13-16-10(2)7-8-20(11)13/h7-8H,6,9H2,1-5H3,(H,15,21).
What are the key properties of N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121495742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).