1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine

C14H13N7O — CID 135096520

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc2nonc2c1)Cc1nc2ncccn2n1
InChIInChI=1S/C14H13N7O/c1-20(8-10-3-4-11-12(7-10)19-22-18-11)9-13-16-14-15-5-2-6-21(14)17-13/h2-7H,8-9H2,1H3
InChIKeyUKGZDBASKJFDAZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.29
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine

1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine (PubChem CID 135096520) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
PubChem CID135096520
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc2nonc2c1)Cc1nc2ncccn2n1
InChIInChI=1S/C14H13N7O/c1-20(8-10-3-4-11-12(7-10)19-22-18-11)9-13-16-14-15-5-2-6-21(14)17-13/h2-7H,8-9H2,1H3
InChIKeyUKGZDBASKJFDAZ-UHFFFAOYSA-N
XLogP1.29
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Asp-2535
CID 9800113
3-(6-Quinolylmethyl)-6-[(1-methyl)-4-pyrazolyl][1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405875
5-Methyl-6-[[3-[6-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
CID 139382201
8-Methyl-6-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-A]pyrimidine
CID 74049853
7-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-B]pyridazine
CID 74049854
Kcnk13-IN-1
CID 723233
US10399985, Example 16
CID 118278207
US9018217, 8-Methyl-2-[2-(1-methyl-4-phenyl-1H-Imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547519
Imidazo triazine derivative 1
CID 68182028
5-allyl-3-[(2,1,3-benzoxadiazol-5-ylmethyl)thio]-5H-[1,2,4]triazino[5,6-b]indole
CID 2963029
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1Hbenzoimidazole
CID 10064294
1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole
CID 10359218

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine (CID 135096520) is 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine is CN(Cc1ccc2nonc2c1)Cc1nc2ncccn2n1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The InChIKey is UKGZDBASKJFDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-20(8-10-3-4-11-12(7-10)19-22-18-11)9-13-16-14-15-5-2-6-21(14)17-13/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine has a molecular weight of 295.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 135096520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).