1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine

C15H26N6 — CID 107053743

IUPAC1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1c(CC)nn(Cc2cn(C)nn2)c1CC
InChIInChI=1S/C15H26N6/c1-6-13-15(11(4)16-8-3)14(7-2)21(18-13)10-12-9-20(5)19-17-12/h9,11,16H,6-8,10H2,1-5H3
InChIKeyKDVJPFLQRSVSHU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds7

About 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine

1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine (PubChem CID 107053743) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
PubChem CID107053743
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1c(CC)nn(Cc2cn(C)nn2)c1CC
InChIInChI=1S/C15H26N6/c1-6-13-15(11(4)16-8-3)14(7-2)21(18-13)10-12-9-20(5)19-17-12/h9,11,16H,6-8,10H2,1-5H3
InChIKeyKDVJPFLQRSVSHU-UHFFFAOYSA-N
XLogP1.86
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 107053678
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 116618002
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
CID 82697652
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
5-ethyl-1-[(1-methyltriazol-4-yl)methyl]triazole-4-carboxylic acid
CID 107052610
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 82700203
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine (CID 107053743) is 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine is CCNC(C)c1c(CC)nn(Cc2cn(C)nn2)c1CC.
What is the InChIKey of 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine?
The InChIKey is KDVJPFLQRSVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-6-13-15(11(4)16-8-3)14(7-2)21(18-13)10-12-9-20(5)19-17-12/h9,11,16H,6-8,10H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine?
1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine has a molecular weight of 290.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 107053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).