(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine

C13H17N5 — CID 129353398

IUPAC(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nccc(N[C@@H]2CCCc3nn(C)cc32)n1
InChIInChI=1S/C13H17N5/c1-9-14-7-6-13(15-9)16-11-4-3-5-12-10(11)8-18(2)17-12/h6-8,11H,3-5H2,1-2H3,(H,14,15,16)/t11-/m1/s1
InChIKeyXEQNCEDASQTBAT-LLVKDONJSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds2

About (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine

(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 129353398) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID129353398
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nccc(N[C@@H]2CCCc3nn(C)cc32)n1
InChIInChI=1S/C13H17N5/c1-9-14-7-6-13(15-9)16-11-4-3-5-12-10(11)8-18(2)17-12/h6-8,11H,3-5H2,1-2H3,(H,14,15,16)/t11-/m1/s1
InChIKeyXEQNCEDASQTBAT-LLVKDONJSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine (CID 129353398) is (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine is Cc1nccc(N[C@@H]2CCCc3nn(C)cc32)n1.
What is the InChIKey of (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is XEQNCEDASQTBAT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-14-7-6-13(15-9)16-11-4-3-5-12-10(11)8-18(2)17-12/h6-8,11H,3-5H2,1-2H3,(H,14,15,16)/t11-/m1/s1.
What are the key properties of (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 129353398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).