N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide

C14H19N7O2 — CID 112528702

IUPACN-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCc2c(C)ncnc2C)nn1
InChIInChI=1S/C14H19N7O2/c1-4-13(22)18-12-6-21(20-19-12)7-14(23)15-5-11-9(2)16-8-17-10(11)3/h6,8H,4-5,7H2,1-3H3,(H,15,23)(H,18,22)
InChIKeyMTYZYSOHLHXIBH-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.35
Rot. Bonds6

About N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112528702) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112528702
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCc2c(C)ncnc2C)nn1
InChIInChI=1S/C14H19N7O2/c1-4-13(22)18-12-6-21(20-19-12)7-14(23)15-5-11-9(2)16-8-17-10(11)3/h6,8H,4-5,7H2,1-3H3,(H,15,23)(H,18,22)
InChIKeyMTYZYSOHLHXIBH-UHFFFAOYSA-N
XLogP0.35
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
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N-[1-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112530014
N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
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N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
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N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313
N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112528634
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
N-[(4,6-dimethylpyrimidin-5-yl)methyl]-2-hydroxyacetamide
CID 83818571
N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide (CID 112528702) is N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)NCc2c(C)ncnc2C)nn1.
What is the InChIKey of N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is MTYZYSOHLHXIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-4-13(22)18-12-6-21(20-19-12)7-14(23)15-5-11-9(2)16-8-17-10(11)3/h6,8H,4-5,7H2,1-3H3,(H,15,23)(H,18,22).
What are the key properties of N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 317.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112528702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).