N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C13H17N5O — CID 71942321

IUPACN-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccnc(NC2CCCc3c2cnn3C)n1
InChIInChI=1S/C13H17N5O/c1-18-11-5-3-4-10(9(11)8-15-18)16-13-14-7-6-12(17-13)19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyGLUJPQWUZVQWNX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds3

About N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 71942321) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID71942321
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccnc(NC2CCCc3c2cnn3C)n1
InChIInChI=1S/C13H17N5O/c1-18-11-5-3-4-10(9(11)8-15-18)16-13-14-7-6-12(17-13)19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyGLUJPQWUZVQWNX-UHFFFAOYSA-N
XLogP1.71
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 71942321) is N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is COc1ccnc(NC2CCCc3c2cnn3C)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GLUJPQWUZVQWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-11-5-3-4-10(9(11)8-15-18)16-13-14-7-6-12(17-13)19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16,17).
What are the key properties of N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 71942321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).