4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine

C9H17N5 — CID 46848634

IUPAC4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine
SMILESCCNc1cnnc(NCC)c1CN
InChIInChI=1S/C9H17N5/c1-3-11-8-6-13-14-9(12-4-2)7(8)5-10/h6H,3-5,10H2,1-2H3,(H2,11,12,14)
InChIKeyWIUJUMUCLHTPHM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.80
Rot. Bonds5

About 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine

4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine (PubChem CID 46848634) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine.

Molecular Properties

Compound Name4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine
PubChem CID46848634
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine
SMILESCCNc1cnnc(NCC)c1CN
InChIInChI=1S/C9H17N5/c1-3-11-8-6-13-14-9(12-4-2)7(8)5-10/h6H,3-5,10H2,1-2H3,(H2,11,12,14)
InChIKeyWIUJUMUCLHTPHM-UHFFFAOYSA-N
XLogP0.80
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine?
The IUPAC name of 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine (CID 46848634) is 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine.
What is the SMILES notation for 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine?
The canonical SMILES for 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine is CCNc1cnnc(NCC)c1CN.
What is the InChIKey of 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine?
The InChIKey is WIUJUMUCLHTPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-11-8-6-13-14-9(12-4-2)7(8)5-10/h6H,3-5,10H2,1-2H3,(H2,11,12,14).
What are the key properties of 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine?
4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-N,5-N-diethylpyridazine-3,5-diamine is sourced from PubChem (CID 46848634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).