N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C14H22N6O — CID 103374498

IUPACN-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C(C)C)c1ccc(OC)nn1
InChIInChI=1S/C14H22N6O/c1-5-15-12(11-6-7-14(21-4)19-18-11)8-13-16-9-17-20(13)10(2)3/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyHFAPMRSQHCHYTC-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.55
Rot. Bonds7

About N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 103374498) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID103374498
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C(C)C)c1ccc(OC)nn1
InChIInChI=1S/C14H22N6O/c1-5-15-12(11-6-7-14(21-4)19-18-11)8-13-16-9-17-20(13)10(2)3/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyHFAPMRSQHCHYTC-UHFFFAOYSA-N
XLogP1.55
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-(4-methoxythiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999790
[1-(6-methoxypyridazin-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 103375604
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999726
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 114887203
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
CID 103374443
1-(6-methoxypyridazin-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 103373872
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374401
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 103374498) is N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C(C)C)c1ccc(OC)nn1.
What is the InChIKey of N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is HFAPMRSQHCHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-15-12(11-6-7-14(21-4)19-18-11)8-13-16-9-17-20(13)10(2)3/h6-7,9-10,12,15H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 290.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 103374498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).