N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H20N6O — CID 53045668

IUPACN-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C(C)C)nc3nc(-c4cccnc4)nn23)c1
InChIInChI=1S/C20H20N6O/c1-13(2)17-11-18(22-15-7-4-8-16(10-15)27-3)26-20(23-17)24-19(25-26)14-6-5-9-21-12-14/h4-13,22H,1-3H3
InChIKeyMURHMYUOHRVMQL-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.06
Rot. Bonds5

About N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53045668) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53045668
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C(C)C)nc3nc(-c4cccnc4)nn23)c1
InChIInChI=1S/C20H20N6O/c1-13(2)17-11-18(22-15-7-4-8-16(10-15)27-3)26-20(23-17)24-19(25-26)14-6-5-9-21-12-14/h4-13,22H,1-3H3
InChIKeyMURHMYUOHRVMQL-UHFFFAOYSA-N
XLogP4.06
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045694
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045692
N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53003469
3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide
CID 53046018
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl] 3-methylbenzoate
CID 53045827
5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 52998550
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl] 2-methylbenzoate
CID 53045823
N-(3-methoxyphenyl)-2-pyridin-3-ylimidazo[1,2-c]pyrimidin-3-amine
CID 102512619
N-(3-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690984
4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 53045981
N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 157012323
N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 53045967

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53045668) is N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2cc(C(C)C)nc3nc(-c4cccnc4)nn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MURHMYUOHRVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(2)17-11-18(22-15-7-4-8-16(10-15)27-3)26-20(23-17)24-19(25-26)14-6-5-9-21-12-14/h4-13,22H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 360.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53045668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).