9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine

C13H15N7 — CID 157015505

IUPAC9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine
SMILESCn1cnc2cnc(NC3CCc4cn[nH]c4C3)nc21
InChIInChI=1S/C13H15N7/c1-20-7-15-11-6-14-13(18-12(11)20)17-9-3-2-8-5-16-19-10(8)4-9/h5-7,9H,2-4H2,1H3,(H,16,19)(H,14,17,18)
InChIKeyHRWKQXCLVJONMU-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.06
Rot. Bonds2

About 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine

9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine (PubChem CID 157015505) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine.

Molecular Properties

Compound Name9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine
PubChem CID157015505
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine
SMILESCn1cnc2cnc(NC3CCc4cn[nH]c4C3)nc21
InChIInChI=1S/C13H15N7/c1-20-7-15-11-6-14-13(18-12(11)20)17-9-3-2-8-5-16-19-10(8)4-9/h5-7,9H,2-4H2,1H3,(H,16,19)(H,14,17,18)
InChIKeyHRWKQXCLVJONMU-UHFFFAOYSA-N
XLogP1.06
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine?
The IUPAC name of 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine (CID 157015505) is 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine.
What is the SMILES notation for 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine?
The canonical SMILES for 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine is Cn1cnc2cnc(NC3CCc4cn[nH]c4C3)nc21.
What is the InChIKey of 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine?
The InChIKey is HRWKQXCLVJONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-20-7-15-11-6-14-13(18-12(11)20)17-9-3-2-8-5-16-19-10(8)4-9/h5-7,9H,2-4H2,1H3,(H,16,19)(H,14,17,18).
What are the key properties of 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine?
9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine is sourced from PubChem (CID 157015505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).