[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine

C8H10N4S — CID 62053952

IUPAC[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C8H10N4S/c9-3-8-5-12(11-10-8)4-7-1-2-13-6-7/h1-2,5-6H,3-4,9H2
InChIKeyZNZFPFXNHZCYJI-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.85
Rot. Bonds3

About [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine

[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine (PubChem CID 62053952) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
PubChem CID62053952
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C8H10N4S/c9-3-8-5-12(11-10-8)4-7-1-2-13-6-7/h1-2,5-6H,3-4,9H2
InChIKeyZNZFPFXNHZCYJI-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.85
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-(Thiophen-3-ylmethyl)triazole
CID 68517790
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
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

Frequently Asked Questions

What is the IUPAC name of [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine (CID 62053952) is [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine is NCc1cn(Cc2ccsc2)nn1.
What is the InChIKey of [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is ZNZFPFXNHZCYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-3-8-5-12(11-10-8)4-7-1-2-13-6-7/h1-2,5-6H,3-4,9H2.
What are the key properties of [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 194.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62053952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).