(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine

C12H20N6 — CID 164632644

IUPAC(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
SMILESCCn1cc([C@H](C)NCc2cnn(CC)n2)cn1
InChIInChI=1S/C12H20N6/c1-4-17-9-11(6-14-17)10(3)13-7-12-8-15-18(5-2)16-12/h6,8-10,13H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKeyYRKRIZGXBKKWEL-JTQLQIEISA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds6

About (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine

(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine (PubChem CID 164632644) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
PubChem CID164632644
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
SMILESCCn1cc([C@H](C)NCc2cnn(CC)n2)cn1
InChIInChI=1S/C12H20N6/c1-4-17-9-11(6-14-17)10(3)13-7-12-8-15-18(5-2)16-12/h6,8-10,13H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKeyYRKRIZGXBKKWEL-JTQLQIEISA-N
XLogP1.37
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106392043
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725978
1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 154751737
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583918
3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
2-N-cyclopropyl-1-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-N-methylpropane-1,2-diamine
CID 113261232
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859460
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine (CID 164632644) is (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine is CCn1cc([C@H](C)NCc2cnn(CC)n2)cn1.
What is the InChIKey of (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine?
The InChIKey is YRKRIZGXBKKWEL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N6/c1-4-17-9-11(6-14-17)10(3)13-7-12-8-15-18(5-2)16-12/h6,8-10,13H,4-5,7H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine?
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 164632644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).