8-chloro-6-cyclopropylcinnolin-3-amine

C11H10ClN3 — CID 146469795

IUPAC8-chloro-6-cyclopropylcinnolin-3-amine
SMILESNc1cc2cc(C3CC3)cc(Cl)c2nn1
InChIInChI=1S/C11H10ClN3/c12-9-4-7(6-1-2-6)3-8-5-10(13)14-15-11(8)9/h3-6H,1-2H2,(H2,13,14)
InChIKeyXOZQDQKIGRRDNK-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.74
Rot. Bonds1

About 8-chloro-6-cyclopropylcinnolin-3-amine

8-chloro-6-cyclopropylcinnolin-3-amine (PubChem CID 146469795) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 8-chloro-6-cyclopropylcinnolin-3-amine.

Molecular Properties

Compound Name8-chloro-6-cyclopropylcinnolin-3-amine
PubChem CID146469795
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name8-chloro-6-cyclopropylcinnolin-3-amine
SMILESNc1cc2cc(C3CC3)cc(Cl)c2nn1
InChIInChI=1S/C11H10ClN3/c12-9-4-7(6-1-2-6)3-8-5-10(13)14-15-11(8)9/h3-6H,1-2H2,(H2,13,14)
InChIKeyXOZQDQKIGRRDNK-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-cyclopropylcinnolin-3-amine?
The IUPAC name of 8-chloro-6-cyclopropylcinnolin-3-amine (CID 146469795) is 8-chloro-6-cyclopropylcinnolin-3-amine.
What is the SMILES notation for 8-chloro-6-cyclopropylcinnolin-3-amine?
The canonical SMILES for 8-chloro-6-cyclopropylcinnolin-3-amine is Nc1cc2cc(C3CC3)cc(Cl)c2nn1.
What is the InChIKey of 8-chloro-6-cyclopropylcinnolin-3-amine?
The InChIKey is XOZQDQKIGRRDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-9-4-7(6-1-2-6)3-8-5-10(13)14-15-11(8)9/h3-6H,1-2H2,(H2,13,14).
What are the key properties of 8-chloro-6-cyclopropylcinnolin-3-amine?
8-chloro-6-cyclopropylcinnolin-3-amine has a molecular weight of 219.68 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-cyclopropylcinnolin-3-amine is sourced from PubChem (CID 146469795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).