1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine

C10H14N4S — CID 60978886

IUPAC1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ncn[nH]1)c1cccs1
InChIInChI=1S/C10H14N4S/c1-2-8(9-4-3-5-15-9)11-6-10-12-7-13-14-10/h3-5,7-8,11H,2,6H2,1H3,(H,12,13,14)
InChIKeyVUJCQHAJFYXVPT-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.11
Rot. Bonds5

About 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine

1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine (PubChem CID 60978886) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
PubChem CID60978886
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ncn[nH]1)c1cccs1
InChIInChI=1S/C10H14N4S/c1-2-8(9-4-3-5-15-9)11-6-10-12-7-13-14-10/h3-5,7-8,11H,2,6H2,1H3,(H,12,13,14)
InChIKeyVUJCQHAJFYXVPT-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-thiophen-2-ylethyl)urea
CID 47220467
3-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47253181
N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53590566
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 71895086
[3-(thiophen-2-yl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride
CID 50988713
1-[5-(thiophen-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CID 137971719
5-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 87052012
5-methyl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 87052016
n-(Thiophen-2-ylmethyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-amine
CID 61940746
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546558
1-[(3-Ethylthiophen-2-yl)methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 75514148
5-methyl-3-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 91653779

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine (CID 60978886) is 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine is CCC(NCc1ncn[nH]1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine?
The InChIKey is VUJCQHAJFYXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-8(9-4-3-5-15-9)11-6-10-12-7-13-14-10/h3-5,7-8,11H,2,6H2,1H3,(H,12,13,14).
What are the key properties of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine?
1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine has a molecular weight of 222.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 60978886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).