5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

C15H15N7O — CID 133453332

IUPAC5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1nc2ncnn2c(NCc2ccc3[nH]c(=O)[nH]c3c2)c1C
InChIInChI=1S/C15H15N7O/c1-8-9(2)19-14-17-7-18-22(14)13(8)16-6-10-3-4-11-12(5-10)21-15(23)20-11/h3-5,7,16H,6H2,1-2H3,(H2,20,21,23)
InChIKeyABIRNOFGNIKIPG-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.52
Rot. Bonds3

About 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 133453332) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID133453332
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1nc2ncnn2c(NCc2ccc3[nH]c(=O)[nH]c3c2)c1C
InChIInChI=1S/C15H15N7O/c1-8-9(2)19-14-17-7-18-22(14)13(8)16-6-10-3-4-11-12(5-10)21-15(23)20-11/h3-5,7,16H,6H2,1-2H3,(H2,20,21,23)
InChIKeyABIRNOFGNIKIPG-UHFFFAOYSA-N
XLogP1.52
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 131894681
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
5-chloro-N-[(4-ethylphenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106900563
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487692
5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133347371
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277
5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 84584512
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076603
5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453467
5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70199948

Frequently Asked Questions

What is the IUPAC name of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 133453332) is 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is Cc1nc2ncnn2c(NCc2ccc3[nH]c(=O)[nH]c3c2)c1C.
What is the InChIKey of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ABIRNOFGNIKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-8-9(2)19-14-17-7-18-22(14)13(8)16-6-10-3-4-11-12(5-10)21-15(23)20-11/h3-5,7,16H,6H2,1-2H3,(H2,20,21,23).
What are the key properties of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 309.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 133453332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).