2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine

C12H13N7 — CID 65348934

IUPAC2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1ncnc3nc[nH]c13)CCCC2
InChIInChI=1S/C12H13N7/c13-10-7-3-1-2-4-8(7)18-19(10)12-9-11(15-5-14-9)16-6-17-12/h5-6H,1-4,13H2,(H,14,15,16,17)
InChIKeyRWIOELZSGNLAKG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.00
Rot. Bonds1

About 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine

2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65348934) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65348934
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1ncnc3nc[nH]c13)CCCC2
InChIInChI=1S/C12H13N7/c13-10-7-3-1-2-4-8(7)18-19(10)12-9-11(15-5-14-9)16-6-17-12/h5-6H,1-4,13H2,(H,14,15,16,17)
InChIKeyRWIOELZSGNLAKG-UHFFFAOYSA-N
XLogP1.00
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine (CID 65348934) is 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1c2c(nn1-c1ncnc3nc[nH]c13)CCCC2.
What is the InChIKey of 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is RWIOELZSGNLAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c13-10-7-3-1-2-4-8(7)18-19(10)12-9-11(15-5-14-9)16-6-17-12/h5-6H,1-4,13H2,(H,14,15,16,17).
What are the key properties of 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 255.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65348934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).