3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine

C11H18N6 — CID 114160006

IUPAC3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCn1cc(Cn2cc(CCCN)nn2)cn1
InChIInChI=1S/C11H18N6/c1-2-16-7-10(6-13-16)8-17-9-11(14-15-17)4-3-5-12/h6-7,9H,2-5,8,12H2,1H3
InChIKeyPWUVCGUJCFFOCH-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.43
Rot. Bonds6

About 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine

3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 114160006) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID114160006
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCn1cc(Cn2cc(CCCN)nn2)cn1
InChIInChI=1S/C11H18N6/c1-2-16-7-10(6-13-16)8-17-9-11(14-15-17)4-3-5-12/h6-7,9H,2-5,8,12H2,1H3
InChIKeyPWUVCGUJCFFOCH-UHFFFAOYSA-N
XLogP0.43
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
5-[[4-(3-aminopropyl)triazol-1-yl]methyl]benzene-1,2,3-triol
CID 130446104
3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106221632
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221077
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220931
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220856
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine (CID 114160006) is 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine is CCn1cc(Cn2cc(CCCN)nn2)cn1.
What is the InChIKey of 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is PWUVCGUJCFFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-2-16-7-10(6-13-16)8-17-9-11(14-15-17)4-3-5-12/h6-7,9H,2-5,8,12H2,1H3.
What are the key properties of 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 234.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114160006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).