N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine

C10H13ClN4S — CID 66194460

IUPACN-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C10H13ClN4S/c1-2-12-5-8-6-15(14-13-8)7-9-3-4-10(11)16-9/h3-4,6,12H,2,5,7H2,1H3
InChIKeyHXWAKPBABSPAJO-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.15
Rot. Bonds5

About N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine

N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66194460) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66194460
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC NameN-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C10H13ClN4S/c1-2-12-5-8-6-15(14-13-8)7-9-3-4-10(11)16-9/h3-4,6,12H,2,5,7H2,1H3
InChIKeyHXWAKPBABSPAJO-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193323
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 114268825
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192160
[1-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methylurea
CID 28956509
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
CID 62281503
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
4-(2-bromoethyl)-1-[(5-ethylthiophen-2-yl)methyl]triazole
CID 62393343
2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
CID 106012253
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192365

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66194460) is N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccc(Cl)s2)nn1.
What is the InChIKey of N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is HXWAKPBABSPAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-2-12-5-8-6-15(14-13-8)7-9-3-4-10(11)16-9/h3-4,6,12H,2,5,7H2,1H3.
What are the key properties of N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 256.76 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66194460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).