N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C15H26N6 — CID 105182286

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(CC)nn1C)c1cnnn1CCC
InChIInChI=1S/C15H26N6/c1-5-8-16-15(13-10-12(7-3)18-20(13)4)14-11-17-19-21(14)9-6-2/h10-11,15-16H,5-9H2,1-4H3
InChIKeyIXKUWGFAVJVBPD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds8

About N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 105182286) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID105182286
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(CC)nn1C)c1cnnn1CCC
InChIInChI=1S/C15H26N6/c1-5-8-16-15(13-10-12(7-3)18-20(13)4)14-11-17-19-21(14)9-6-2/h10-11,15-16H,5-9H2,1-4H3
InChIKeyIXKUWGFAVJVBPD-UHFFFAOYSA-N
XLogP2.07
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335521
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105182099
N-[(3-ethyl-1-methylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104032
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150113
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105142319
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106657172
N-[(4-chloro-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 107995221

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 105182286) is N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cc(CC)nn1C)c1cnnn1CCC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is IXKUWGFAVJVBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-5-8-16-15(13-10-12(7-3)18-20(13)4)14-11-17-19-21(14)9-6-2/h10-11,15-16H,5-9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105182286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).