N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H29N5O — CID 42618170

IUPACN-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H29N5O/c1-6-11-26(13-17-7-8-17)22-24-16(4)23-21-20(15(3)25-27(21)22)19-10-9-18(28-5)12-14(19)2/h9-10,12,17H,6-8,11,13H2,1-5H3
InChIKeyGDZGXQSSIIIYMF-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.35
Rot. Bonds7

About N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618170) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618170
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H29N5O/c1-6-11-26(13-17-7-8-17)22-24-16(4)23-21-20(15(3)25-27(21)22)19-10-9-18(28-5)12-14(19)2/h9-10,12,17H,6-8,11,13H2,1-5H3
InChIKeyGDZGXQSSIIIYMF-UHFFFAOYSA-N
XLogP4.35
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618170) is N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is GDZGXQSSIIIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-6-11-26(13-17-7-8-17)22-24-16(4)23-21-20(15(3)25-27(21)22)19-10-9-18(28-5)12-14(19)2/h9-10,12,17H,6-8,11,13H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 379.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).