N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine

C10H16N6S — CID 113314274

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESNCc1cn(CCNCCc2nccs2)nn1
InChIInChI=1S/C10H16N6S/c11-7-9-8-16(15-14-9)5-3-12-2-1-10-13-4-6-17-10/h4,6,8,12H,1-3,5,7,11H2
InChIKeySPDAYILFUMWGFB-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.03
Rot. Bonds7

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 113314274) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID113314274
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESNCc1cn(CCNCCc2nccs2)nn1
InChIInChI=1S/C10H16N6S/c11-7-9-8-16(15-14-9)5-3-12-2-1-10-13-4-6-17-10/h4,6,8,12H,1-3,5,7,11H2
InChIKeySPDAYILFUMWGFB-UHFFFAOYSA-N
XLogP0.03
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine
CID 55069976
N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115682543
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55139434
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
CID 115460313
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 66291007

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 113314274) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine is NCc1cn(CCNCCc2nccs2)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is SPDAYILFUMWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c11-7-9-8-16(15-14-9)5-3-12-2-1-10-13-4-6-17-10/h4,6,8,12H,1-3,5,7,11H2.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 252.35 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 113314274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).