(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine

C12H20N6 — CID 102812830

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cn(C)nc1CC
InChIInChI=1S/C12H20N6/c1-4-6-18-11(7-14-16-18)12(13)9-8-17(3)15-10(9)5-2/h7-8,12H,4-6,13H2,1-3H3
InChIKeyJQYAZOIZPILDAJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds5

About (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine

(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 102812830) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID102812830
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cn(C)nc1CC
InChIInChI=1S/C12H20N6/c1-4-6-18-11(7-14-16-18)12(13)9-8-17(3)15-10(9)5-2/h7-8,12H,4-6,13H2,1-3H3
InChIKeyJQYAZOIZPILDAJ-UHFFFAOYSA-N
XLogP1.03
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
CID 105182120
(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine (CID 102812830) is (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1cn(C)nc1CC.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is JQYAZOIZPILDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-6-18-11(7-14-16-18)12(13)9-8-17(3)15-10(9)5-2/h7-8,12H,4-6,13H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 102812830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).