1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine

C12H20N6 — CID 79542040

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1cc(Cn2nnc(N)c2CC)n(CC)n1
InChIInChI=1S/C12H20N6/c1-4-9-7-10(17(6-3)15-9)8-18-11(5-2)12(13)14-16-18/h7H,4-6,8,13H2,1-3H3
InChIKeyCGWXGXJYGYSABO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds5

About 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine

1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79542040) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
PubChem CID79542040
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1cc(Cn2nnc(N)c2CC)n(CC)n1
InChIInChI=1S/C12H20N6/c1-4-9-7-10(17(6-3)15-9)8-18-11(5-2)12(13)14-16-18/h7H,4-6,8,13H2,1-3H3
InChIKeyCGWXGXJYGYSABO-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
CID 79542077
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
CID 79542639
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methyltriazol-4-amine
CID 79542426
5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine
CID 131123673
5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79542816
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
5-ethyl-1-propyltriazol-4-amine
CID 79542542
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644775
5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine
CID 79542056

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine (CID 79542040) is 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine is CCc1cc(Cn2nnc(N)c2CC)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is CGWXGXJYGYSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-9-7-10(17(6-3)15-9)8-18-11(5-2)12(13)14-16-18/h7H,4-6,8,13H2,1-3H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine?
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79542040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).