N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide

C18H20N6O — CID 133316402

IUPACN-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(Nc2cc(C)nc3ncnn23)cc1)C1CC1
InChIInChI=1S/C18H20N6O/c1-12-9-17(24-18(21-12)19-11-20-24)22-15-5-3-14(4-6-15)10-23(13(2)25)16-7-8-16/h3-6,9,11,16,22H,7-8,10H2,1-2H3
InChIKeyWXLJDYRGPXLYNP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.69
Rot. Bonds5

About N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide

N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide (PubChem CID 133316402) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide
PubChem CID133316402
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(Nc2cc(C)nc3ncnn23)cc1)C1CC1
InChIInChI=1S/C18H20N6O/c1-12-9-17(24-18(21-12)19-11-20-24)22-15-5-3-14(4-6-15)10-23(13(2)25)16-7-8-16/h3-6,9,11,16,22H,7-8,10H2,1-2H3
InChIKeyWXLJDYRGPXLYNP-UHFFFAOYSA-N
XLogP2.69
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide with MolForge

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Related Compounds

5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743051
N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347394
5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263432
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133406710
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 22431925
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 22432132
2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one
CID 166202631
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide (CID 133316402) is N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(Nc2cc(C)nc3ncnn23)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide?
The InChIKey is WXLJDYRGPXLYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-9-17(24-18(21-12)19-11-20-24)22-15-5-3-14(4-6-15)10-23(13(2)25)16-7-8-16/h3-6,9,11,16,22H,7-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide?
N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 133316402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).