N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H19N5O3 — CID 78840756

IUPACN,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCN(CCOC)C(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C13H19N5O3/c1-10-4-5-14-13-15-11(16-18(10)13)12(19)17(6-8-20-2)7-9-21-3/h4-5H,6-9H2,1-3H3
InChIKeyPPLRCERUTXBCLW-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.17
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 78840756) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID78840756
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCN(CCOC)C(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C13H19N5O3/c1-10-4-5-14-13-15-11(16-18(10)13)12(19)17(6-8-20-2)7-9-21-3/h4-5H,6-9H2,1-3H3
InChIKeyPPLRCERUTXBCLW-UHFFFAOYSA-N
XLogP0.17
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78855258
7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115699548
N-(2-methoxyethyl)-5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32953696
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 79291777
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 134023420
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51275569
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 78840756) is N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COCCN(CCOC)C(=O)c1nc2nccc(C)n2n1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PPLRCERUTXBCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-10-4-5-14-13-15-11(16-18(10)13)12(19)17(6-8-20-2)7-9-21-3/h4-5H,6-9H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 78840756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).