1H-indazol-3-amine;quinoline

C16H14N4 — CID 158589437

IUPAC1H-indazol-3-amine;quinoline
SMILESNc1n[nH]c2ccccc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H7N3/c1-2-6-9-8(4-1)5-3-7-10-9;8-7-5-3-1-2-4-6(5)9-10-7/h1-7H;1-4H,(H3,8,9,10)
InChIKeyHUGLNRIGBIKEGP-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.38
Rot. Bonds

About 1H-indazol-3-amine;quinoline

1H-indazol-3-amine;quinoline (PubChem CID 158589437) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1H-indazol-3-amine;quinoline.

Molecular Properties

Compound Name1H-indazol-3-amine;quinoline
PubChem CID158589437
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1H-indazol-3-amine;quinoline
SMILESNc1n[nH]c2ccccc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H7N3/c1-2-6-9-8(4-1)5-3-7-10-9;8-7-5-3-1-2-4-6(5)9-10-7/h1-7H;1-4H,(H3,8,9,10)
InChIKeyHUGLNRIGBIKEGP-UHFFFAOYSA-N
XLogP3.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-amine;quinoline?
The IUPAC name of 1H-indazol-3-amine;quinoline (CID 158589437) is 1H-indazol-3-amine;quinoline.
What is the SMILES notation for 1H-indazol-3-amine;quinoline?
The canonical SMILES for 1H-indazol-3-amine;quinoline is Nc1n[nH]c2ccccc12.c1ccc2ncccc2c1.
What is the InChIKey of 1H-indazol-3-amine;quinoline?
The InChIKey is HUGLNRIGBIKEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H7N3/c1-2-6-9-8(4-1)5-3-7-10-9;8-7-5-3-1-2-4-6(5)9-10-7/h1-7H;1-4H,(H3,8,9,10).
What are the key properties of 1H-indazol-3-amine;quinoline?
1H-indazol-3-amine;quinoline has a molecular weight of 262.32 g/mol, XLogP of 3.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-amine;quinoline is sourced from PubChem (CID 158589437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).