N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine

C16H21N7O — CID 134811040

IUPACN'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccnc(-c2nnc3ccc(N(C)CCN(C)C)nn23)c1
InChIInChI=1S/C16H21N7O/c1-21(2)9-10-22(3)15-6-5-14-18-19-16(23(14)20-15)13-11-12(24-4)7-8-17-13/h5-8,11H,9-10H2,1-4H3
InChIKeyBFZJNDNIKPLTFC-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.19
Rot. Bonds6

About N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 134811040) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID134811040
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccnc(-c2nnc3ccc(N(C)CCN(C)C)nn23)c1
InChIInChI=1S/C16H21N7O/c1-21(2)9-10-22(3)15-6-5-14-18-19-16(23(14)20-15)13-11-12(24-4)7-8-17-13/h5-8,11H,9-10H2,1-4H3
InChIKeyBFZJNDNIKPLTFC-UHFFFAOYSA-N
XLogP1.19
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 134811040) is N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine is COc1ccnc(-c2nnc3ccc(N(C)CCN(C)C)nn23)c1.
What is the InChIKey of N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BFZJNDNIKPLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-21(2)9-10-22(3)15-6-5-14-18-19-16(23(14)20-15)13-11-12(24-4)7-8-17-13/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 327.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 134811040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).