4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine

C17H24N4 — CID 61096421

IUPAC4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine
SMILESCCCN(Cc1ccccc1)c1nnc(C)c(C)c1CN
InChIInChI=1S/C17H24N4/c1-4-10-21(12-15-8-6-5-7-9-15)17-16(11-18)13(2)14(3)19-20-17/h5-9H,4,10-12,18H2,1-3H3
InChIKeyQHHKXWIEUNSZDL-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.97
Rot. Bonds6

About 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine

4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine (PubChem CID 61096421) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine
PubChem CID61096421
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine
SMILESCCCN(Cc1ccccc1)c1nnc(C)c(C)c1CN
InChIInChI=1S/C17H24N4/c1-4-10-21(12-15-8-6-5-7-9-15)17-16(11-18)13(2)14(3)19-20-17/h5-9H,4,10-12,18H2,1-3H3
InChIKeyQHHKXWIEUNSZDL-UHFFFAOYSA-N
XLogP2.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine (CID 61096421) is 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine is CCCN(Cc1ccccc1)c1nnc(C)c(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine?
The InChIKey is QHHKXWIEUNSZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-10-21(12-15-8-6-5-7-9-15)17-16(11-18)13(2)14(3)19-20-17/h5-9H,4,10-12,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine?
4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine is sourced from PubChem (CID 61096421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).