N-propan-2-ylcinnolin-4-amine

C11H13N3 — CID 39733520

IUPACN-propan-2-ylcinnolin-4-amine
SMILESCC(C)Nc1cnnc2ccccc12
InChIInChI=1S/C11H13N3/c1-8(2)13-11-7-12-14-10-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,13,14)
InChIKeyHXVWERJDJHBDOZ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.45
Rot. Bonds2

About N-propan-2-ylcinnolin-4-amine

N-propan-2-ylcinnolin-4-amine (PubChem CID 39733520) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-propan-2-ylcinnolin-4-amine.

Molecular Properties

Compound NameN-propan-2-ylcinnolin-4-amine
PubChem CID39733520
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-propan-2-ylcinnolin-4-amine
SMILESCC(C)Nc1cnnc2ccccc12
InChIInChI=1S/C11H13N3/c1-8(2)13-11-7-12-14-10-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,13,14)
InChIKeyHXVWERJDJHBDOZ-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-propan-2-ylcinnolin-4-amine?
The IUPAC name of N-propan-2-ylcinnolin-4-amine (CID 39733520) is N-propan-2-ylcinnolin-4-amine.
What is the SMILES notation for N-propan-2-ylcinnolin-4-amine?
The canonical SMILES for N-propan-2-ylcinnolin-4-amine is CC(C)Nc1cnnc2ccccc12.
What is the InChIKey of N-propan-2-ylcinnolin-4-amine?
The InChIKey is HXVWERJDJHBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8(2)13-11-7-12-14-10-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-propan-2-ylcinnolin-4-amine?
N-propan-2-ylcinnolin-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcinnolin-4-amine is sourced from PubChem (CID 39733520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).