N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H22N6 — CID 133385828

IUPACN-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)Cc2cccc(N(C)C)c2)c1C
InChIInChI=1S/C17H22N6/c1-12-13(2)20-17-18-11-19-23(17)16(12)22(5)10-14-7-6-8-15(9-14)21(3)4/h6-9,11H,10H2,1-5H3
InChIKeyXNOMBAFYJFWLRR-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.44
Rot. Bonds4

About N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133385828) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133385828
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)Cc2cccc(N(C)C)c2)c1C
InChIInChI=1S/C17H22N6/c1-12-13(2)20-17-18-11-19-23(17)16(12)22(5)10-14-7-6-8-15(9-14)21(3)4/h6-9,11H,10H2,1-5H3
InChIKeyXNOMBAFYJFWLRR-UHFFFAOYSA-N
XLogP2.44
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133385828) is N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)Cc2cccc(N(C)C)c2)c1C.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XNOMBAFYJFWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-13(2)20-17-18-11-19-23(17)16(12)22(5)10-14-7-6-8-15(9-14)21(3)4/h6-9,11H,10H2,1-5H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133385828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).