8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H27N5O2 — CID 42618183

IUPAC8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESC=CCN(CC=C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C22H27N5O2/c1-8-10-26(11-9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h8-9,12-13H,1-2,10-11H2,3-7H3
InChIKeyGOJIGPCJYHJBBF-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.91
Rot. Bonds8

About 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618183) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618183
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESC=CCN(CC=C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C22H27N5O2/c1-8-10-26(11-9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h8-9,12-13H,1-2,10-11H2,3-7H3
InChIKeyGOJIGPCJYHJBBF-UHFFFAOYSA-N
XLogP3.91
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618183) is 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is C=CCN(CC=C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is GOJIGPCJYHJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-8-10-26(11-9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h8-9,12-13H,1-2,10-11H2,3-7H3.
What are the key properties of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 393.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N,N-bis(prop-2-enyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).