N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H26N6O — CID 133274816

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC2CCCCN2Cc2ccccc2)n2ncnc2n1
InChIInChI=1S/C20H26N6O/c1-27-14-17-11-19(26-20(24-17)22-15-23-26)21-12-18-9-5-6-10-25(18)13-16-7-3-2-4-8-16/h2-4,7-8,11,15,18,21H,5-6,9-10,12-14H2,1H3
InChIKeyILTXLAKKJDSJGK-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.74
Rot. Bonds7

About N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133274816) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133274816
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC2CCCCN2Cc2ccccc2)n2ncnc2n1
InChIInChI=1S/C20H26N6O/c1-27-14-17-11-19(26-20(24-17)22-15-23-26)21-12-18-9-5-6-10-25(18)13-16-7-3-2-4-8-16/h2-4,7-8,11,15,18,21H,5-6,9-10,12-14H2,1H3
InChIKeyILTXLAKKJDSJGK-UHFFFAOYSA-N
XLogP2.74
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133399685
5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274615
2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133324043
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133386099
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491841
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477232
5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133474303

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133274816) is N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCC2CCCCN2Cc2ccccc2)n2ncnc2n1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ILTXLAKKJDSJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-27-14-17-11-19(26-20(24-17)22-15-23-26)21-12-18-9-5-6-10-25(18)13-16-7-3-2-4-8-16/h2-4,7-8,11,15,18,21H,5-6,9-10,12-14H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133274816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).