2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide

C17H15N5O — CID 134711597

IUPAC2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)Nc1nnc2nc(C)ccn12
InChIInChI=1S/C17H15N5O/c1-10-8-9-22-16(18-10)20-21-17(22)19-15(23)14-11(2)13(14)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,21,23)
InChIKeyKLWZTJZXVRHGDI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide

2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide (PubChem CID 134711597) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide
PubChem CID134711597
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)Nc1nnc2nc(C)ccn12
InChIInChI=1S/C17H15N5O/c1-10-8-9-22-16(18-10)20-21-17(22)19-15(23)14-11(2)13(14)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,21,23)
InChIKeyKLWZTJZXVRHGDI-UHFFFAOYSA-N
XLogP2.47
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide
CID 134695637
3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
CID 146163534
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 91834868
7-methyl-N-(2-methylbenzotriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 157012047
(1S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 125446287
2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
CID 131903974
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 155494001
3-(chloromethyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 55267094
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
CID 69376905
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide?
The IUPAC name of 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide (CID 134711597) is 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide is CC1=C(c2ccccc2)C1C(=O)Nc1nnc2nc(C)ccn12.
What is the InChIKey of 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide?
The InChIKey is KLWZTJZXVRHGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-8-9-22-16(18-10)20-21-17(22)19-15(23)14-11(2)13(14)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,21,23).
What are the key properties of 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide?
2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 134711597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).