5-pentan-3-yl-1,2-dihydropyridazin-3-amine

C9H17N3 — CID 90288926

IUPAC5-pentan-3-yl-1,2-dihydropyridazin-3-amine
SMILESCCC(CC)C1=CNNC(N)=C1
InChIInChI=1S/C9H17N3/c1-3-7(4-2)8-5-9(10)12-11-6-8/h5-7,11-12H,3-4,10H2,1-2H3
InChIKeyKSCJXHGPZUQQFJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.21
Rot. Bonds3

About 5-pentan-3-yl-1,2-dihydropyridazin-3-amine

5-pentan-3-yl-1,2-dihydropyridazin-3-amine (PubChem CID 90288926) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-pentan-3-yl-1,2-dihydropyridazin-3-amine.

Molecular Properties

Compound Name5-pentan-3-yl-1,2-dihydropyridazin-3-amine
PubChem CID90288926
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-pentan-3-yl-1,2-dihydropyridazin-3-amine
SMILESCCC(CC)C1=CNNC(N)=C1
InChIInChI=1S/C9H17N3/c1-3-7(4-2)8-5-9(10)12-11-6-8/h5-7,11-12H,3-4,10H2,1-2H3
InChIKeyKSCJXHGPZUQQFJ-UHFFFAOYSA-N
XLogP1.21
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1,2-dihydropyridazin-3-amine?
The IUPAC name of 5-pentan-3-yl-1,2-dihydropyridazin-3-amine (CID 90288926) is 5-pentan-3-yl-1,2-dihydropyridazin-3-amine.
What is the SMILES notation for 5-pentan-3-yl-1,2-dihydropyridazin-3-amine?
The canonical SMILES for 5-pentan-3-yl-1,2-dihydropyridazin-3-amine is CCC(CC)C1=CNNC(N)=C1.
What is the InChIKey of 5-pentan-3-yl-1,2-dihydropyridazin-3-amine?
The InChIKey is KSCJXHGPZUQQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-7(4-2)8-5-9(10)12-11-6-8/h5-7,11-12H,3-4,10H2,1-2H3.
What are the key properties of 5-pentan-3-yl-1,2-dihydropyridazin-3-amine?
5-pentan-3-yl-1,2-dihydropyridazin-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1,2-dihydropyridazin-3-amine is sourced from PubChem (CID 90288926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).