7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H23N5O2 — CID 60618632

IUPAC7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3ccccc3OCCC(C)C)nn12
InChIInChI=1S/C19H23N5O2/c1-13(2)9-11-26-16-7-5-4-6-15(16)12-21-18(25)17-22-19-20-10-8-14(3)24(19)23-17/h4-8,10,13H,9,11-12H2,1-3H3,(H,21,25)
InChIKeyXYUJVKYQHYPKIC-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.79
Rot. Bonds7

About 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 60618632) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID60618632
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3ccccc3OCCC(C)C)nn12
InChIInChI=1S/C19H23N5O2/c1-13(2)9-11-26-16-7-5-4-6-15(16)12-21-18(25)17-22-19-20-10-8-14(3)24(19)23-17/h4-8,10,13H,9,11-12H2,1-3H3,(H,21,25)
InChIKeyXYUJVKYQHYPKIC-UHFFFAOYSA-N
XLogP2.79
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51185265
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 60621982
7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18082474
3-bromo-N-[[2-(3-methylbutoxy)phenyl]methyl]thiophene-2-carboxamide
CID 60618416
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 60622145
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 60618632) is 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCc3ccccc3OCCC(C)C)nn12.
What is the InChIKey of 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XYUJVKYQHYPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(2)9-11-26-16-7-5-4-6-15(16)12-21-18(25)17-22-19-20-10-8-14(3)24(19)23-17/h4-8,10,13H,9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 60618632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).