9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine

C14H13N7 — CID 53385610

IUPAC9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine
SMILESCN(C)c1ncc2ncn(-c3ccc4cn[nH]c4c3)c2n1
InChIInChI=1S/C14H13N7/c1-20(2)14-15-7-12-13(18-14)21(8-16-12)10-4-3-9-6-17-19-11(9)5-10/h3-8H,1-2H3,(H,17,19)
InChIKeyKBGOWQNHECVTPX-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.76
Rot. Bonds2

About 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine

9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine (PubChem CID 53385610) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine.

Molecular Properties

Compound Name9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine
PubChem CID53385610
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine
SMILESCN(C)c1ncc2ncn(-c3ccc4cn[nH]c4c3)c2n1
InChIInChI=1S/C14H13N7/c1-20(2)14-15-7-12-13(18-14)21(8-16-12)10-4-3-9-6-17-19-11(9)5-10/h3-8H,1-2H3,(H,17,19)
InChIKeyKBGOWQNHECVTPX-UHFFFAOYSA-N
XLogP1.76
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine?
The IUPAC name of 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine (CID 53385610) is 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine.
What is the SMILES notation for 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine?
The canonical SMILES for 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine is CN(C)c1ncc2ncn(-c3ccc4cn[nH]c4c3)c2n1.
What is the InChIKey of 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine?
The InChIKey is KBGOWQNHECVTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-20(2)14-15-7-12-13(18-14)21(8-16-12)10-4-3-9-6-17-19-11(9)5-10/h3-8H,1-2H3,(H,17,19).
What are the key properties of 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine?
9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine has a molecular weight of 279.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine is sourced from PubChem (CID 53385610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).