1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C9H13N5S — CID 63379059

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1nncn1C
InChIInChI=1S/C9H13N5S/c1-7(9-13-12-6-14(9)2)11-5-8-10-3-4-15-8/h3-4,6-7,11H,5H2,1-2H3
InChIKeyQDJASPYLBFZRHY-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.12
Rot. Bonds4

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 63379059) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID63379059
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1nncn1C
InChIInChI=1S/C9H13N5S/c1-7(9-13-12-6-14(9)2)11-5-8-10-3-4-15-8/h3-4,6-7,11H,5H2,1-2H3
InChIKeyQDJASPYLBFZRHY-UHFFFAOYSA-N
XLogP1.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43703063
1-(3-methylthiophen-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63992848
5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79553626
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 63379059) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CC(NCc1nccs1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is QDJASPYLBFZRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7(9-13-12-6-14(9)2)11-5-8-10-3-4-15-8/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 223.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 63379059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).