N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C13H20N6O — CID 60926639

IUPACN,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H20N6O/c1-4-18(5-2)12(20)6-7-14-11-8-10(3)17-13-15-9-16-19(11)13/h8-9,14H,4-7H2,1-3H3
InChIKeyWRKTYYQQYSWWLP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.10
Rot. Bonds6

About N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 60926639) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
PubChem CID60926639
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H20N6O/c1-4-18(5-2)12(20)6-7-14-11-8-10(3)17-13-15-9-16-19(11)13/h8-9,14H,4-7H2,1-3H3
InChIKeyWRKTYYQQYSWWLP-UHFFFAOYSA-N
XLogP1.10
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 60926639) is N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is CCN(CC)C(=O)CCNc1cc(C)nc2ncnn12.
What is the InChIKey of N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The InChIKey is WRKTYYQQYSWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-18(5-2)12(20)6-7-14-11-8-10(3)17-13-15-9-16-19(11)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 60926639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).