3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol

C17H21N5O — CID 133445874

IUPAC3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
SMILESCc1cc(N(Cc2ccccc2)C(C)CCO)n2ncnc2n1
InChIInChI=1S/C17H21N5O/c1-13-10-16(22-17(20-13)18-12-19-22)21(14(2)8-9-23)11-15-6-4-3-5-7-15/h3-7,10,12,14,23H,8-9,11H2,1-2H3
InChIKeyCKXKXYKTFKYWID-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.21
Rot. Bonds6

About 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol

3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol (PubChem CID 133445874) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
PubChem CID133445874
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
SMILESCc1cc(N(Cc2ccccc2)C(C)CCO)n2ncnc2n1
InChIInChI=1S/C17H21N5O/c1-13-10-16(22-17(20-13)18-12-19-22)21(14(2)8-9-23)11-15-6-4-3-5-7-15/h3-7,10,12,14,23H,8-9,11H2,1-2H3
InChIKeyCKXKXYKTFKYWID-UHFFFAOYSA-N
XLogP2.21
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol with MolForge

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Related Compounds

N-benzyl-N-(2,2-dimethylpropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287633
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid
CID 55021059
3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol
CID 133445857
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18156188
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
CID 133384013

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The IUPAC name of 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol (CID 133445874) is 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The canonical SMILES for 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol is Cc1cc(N(Cc2ccccc2)C(C)CCO)n2ncnc2n1.
What is the InChIKey of 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The InChIKey is CKXKXYKTFKYWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-10-16(22-17(20-13)18-12-19-22)21(14(2)8-9-23)11-15-6-4-3-5-7-15/h3-7,10,12,14,23H,8-9,11H2,1-2H3.
What are the key properties of 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol has a molecular weight of 311.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol is sourced from PubChem (CID 133445874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).