N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide

C14H20N6O — CID 125440611

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)ncnc1C)c1ncnn1CC
InChIInChI=1S/C14H20N6O/c1-5-11(13-17-8-18-20(13)6-2)19-14(21)12-9(3)15-7-16-10(12)4/h7-8,11H,5-6H2,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyAGNISFZUEZJROU-NSHDSACASA-N
MW288.36 g/mol
LogP1.59
Rot. Bonds5

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 125440611) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID125440611
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)ncnc1C)c1ncnn1CC
InChIInChI=1S/C14H20N6O/c1-5-11(13-17-8-18-20(13)6-2)19-14(21)12-9(3)15-7-16-10(12)4/h7-8,11H,5-6H2,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyAGNISFZUEZJROU-NSHDSACASA-N
XLogP1.59
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
CID 125448522
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
CID 125446560
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122560853
1-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-3-pyrrol-1-ylphenyl)urea
CID 97279425
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
(E)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 122571400
2-[4-[1-(2-ethyl-1,2,4-triazol-3-yl)propylcarbamoyl]phenyl]pyridine-4-carboxylic acid
CID 121497701
2-[4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]pyridine-4-carboxylic acid
CID 126428746

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 125440611) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide is CC[C@H](NC(=O)c1c(C)ncnc1C)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is AGNISFZUEZJROU-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6O/c1-5-11(13-17-8-18-20(13)6-2)19-14(21)12-9(3)15-7-16-10(12)4/h7-8,11H,5-6H2,1-4H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 125440611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).