N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H19N5O — CID 18191323

IUPACN,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=CCOc1ccc(CN(C)c2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C17H19N5O/c1-4-9-23-15-7-5-14(6-8-15)11-21(3)16-10-13(2)20-17-18-12-19-22(16)17/h4-8,10,12H,1,9,11H2,2-3H3
InChIKeyJXWUDGBMNPCQEI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.63
Rot. Bonds6

About N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18191323) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18191323
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=CCOc1ccc(CN(C)c2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C17H19N5O/c1-4-9-23-15-7-5-14(6-8-15)11-21(3)16-10-13(2)20-17-18-12-19-22(16)17/h4-8,10,12H,1,9,11H2,2-3H3
InChIKeyJXWUDGBMNPCQEI-UHFFFAOYSA-N
XLogP2.63
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18191323) is N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C=CCOc1ccc(CN(C)c2cc(C)nc3ncnn23)cc1.
What is the InChIKey of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JXWUDGBMNPCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-9-23-15-7-5-14(6-8-15)11-21(3)16-10-13(2)20-17-18-12-19-22(16)17/h4-8,10,12H,1,9,11H2,2-3H3.
What are the key properties of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18191323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).