N-propylcinnolin-4-amine

C11H13N3 — CID 12027104

IUPACN-propylcinnolin-4-amine
SMILESCCCNc1cnnc2ccccc12
InChIInChI=1S/C11H13N3/c1-2-7-12-11-8-13-14-10-6-4-3-5-9(10)11/h3-6,8H,2,7H2,1H3,(H,12,14)
InChIKeyYCFLURDIMNFRGV-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.45
Rot. Bonds3

About N-propylcinnolin-4-amine

N-propylcinnolin-4-amine (PubChem CID 12027104) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-propylcinnolin-4-amine.

Molecular Properties

Compound NameN-propylcinnolin-4-amine
PubChem CID12027104
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-propylcinnolin-4-amine
SMILESCCCNc1cnnc2ccccc12
InChIInChI=1S/C11H13N3/c1-2-7-12-11-8-13-14-10-6-4-3-5-9(10)11/h3-6,8H,2,7H2,1H3,(H,12,14)
InChIKeyYCFLURDIMNFRGV-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propylcinnolin-4-amine?
The IUPAC name of N-propylcinnolin-4-amine (CID 12027104) is N-propylcinnolin-4-amine.
What is the SMILES notation for N-propylcinnolin-4-amine?
The canonical SMILES for N-propylcinnolin-4-amine is CCCNc1cnnc2ccccc12.
What is the InChIKey of N-propylcinnolin-4-amine?
The InChIKey is YCFLURDIMNFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-7-12-11-8-13-14-10-6-4-3-5-9(10)11/h3-6,8H,2,7H2,1H3,(H,12,14).
What are the key properties of N-propylcinnolin-4-amine?
N-propylcinnolin-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcinnolin-4-amine is sourced from PubChem (CID 12027104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).