2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine

C10H14N4S — CID 63998729

IUPAC2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c1-10(2,11)9-6-14(13-12-9)5-8-3-4-15-7-8/h3-4,6-7H,5,11H2,1-2H3
InChIKeyNOWXYGZDWWXQAD-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.58
Rot. Bonds3

About 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine

2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine (PubChem CID 63998729) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine
PubChem CID63998729
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c1-10(2,11)9-6-14(13-12-9)5-8-3-4-15-7-8/h3-4,6-7H,5,11H2,1-2H3
InChIKeyNOWXYGZDWWXQAD-UHFFFAOYSA-N
XLogP1.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
1-[4-[(1S)-2-methyl-1-(thiophen-3-ylmethylamino)propyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89643171
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626483
N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626496
N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626587
N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626600
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-4-amine
CID 19626717
1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626756
1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626769

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine (CID 63998729) is 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(Cc2ccsc2)nn1.
What is the InChIKey of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine?
The InChIKey is NOWXYGZDWWXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-10(2,11)9-6-14(13-12-9)5-8-3-4-15-7-8/h3-4,6-7H,5,11H2,1-2H3.
What are the key properties of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine?
2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine has a molecular weight of 222.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63998729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).