2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H23N7 — CID 123647234

IUPAC2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nc(NCc2ccccc2-n2ccnc2C)n2ncc(C(C)C)c2n1
InChIInChI=1S/C20H23N7/c1-13(2)17-12-23-27-19(17)24-14(3)25-20(27)22-11-16-7-5-6-8-18(16)26-10-9-21-15(26)4/h5-10,12-13H,11H2,1-4H3,(H,22,24,25)
InChIKeyCQRRUAXRPVYZJK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds5

About 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 123647234) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID123647234
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nc(NCc2ccccc2-n2ccnc2C)n2ncc(C(C)C)c2n1
InChIInChI=1S/C20H23N7/c1-13(2)17-12-23-27-19(17)24-14(3)25-20(27)22-11-16-7-5-6-8-18(16)26-10-9-21-15(26)4/h5-10,12-13H,11H2,1-4H3,(H,22,24,25)
InChIKeyCQRRUAXRPVYZJK-UHFFFAOYSA-N
XLogP3.66
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-8-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123541841
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161993
2-methyl-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123303053
2-methyl-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;sulfur dioxide
CID 161403658
2-(2-piperazin-1-ylethoxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730498
2-(azetidin-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730101
2-(1,3-diazinan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123364970
2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158274843
5-amino-1-[8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]pentan-1-one
CID 160849457
N-[(2-hydroxyisoquinolin-2-ium-8-yl)methyl]-2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;sulfur dioxide
CID 159763289
8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730492
9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
CID 162627078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 123647234) is 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is Cc1nc(NCc2ccccc2-n2ccnc2C)n2ncc(C(C)C)c2n1.
What is the InChIKey of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is CQRRUAXRPVYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-13(2)17-12-23-27-19(17)24-14(3)25-20(27)22-11-16-7-5-6-8-18(16)26-10-9-21-15(26)4/h5-10,12-13H,11H2,1-4H3,(H,22,24,25).
What are the key properties of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 123647234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).