N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine

C10H18N4 — CID 66194675

IUPACN-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCC2CC2)nn1
InChIInChI=1S/C10H18N4/c1-2-11-7-10-8-14(13-12-10)6-5-9-3-4-9/h8-9,11H,2-7H2,1H3
InChIKeyCRYZMUJKZLYHMR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds6

About N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine

N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66194675) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
PubChem CID66194675
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCC2CC2)nn1
InChIInChI=1S/C10H18N4/c1-2-11-7-10-8-14(13-12-10)6-5-9-3-4-9/h8-9,11H,2-7H2,1H3
InChIKeyCRYZMUJKZLYHMR-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
CID 62421792
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
N-[[1-[2-(3,3-dimethylbutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 66224811
N-[[1-[2-(4,4,4-trifluorobutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 82792791
N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63620813
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine (CID 66194675) is N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCC2CC2)nn1.
What is the InChIKey of N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is CRYZMUJKZLYHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-11-7-10-8-14(13-12-10)6-5-9-3-4-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66194675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).