N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine

C7H8N4S — CID 4726979

IUPACN-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine
SMILESc1cc(CNn2cnnc2)cs1
InChIInChI=1S/C7H8N4S/c1-2-12-4-7(1)3-10-11-5-8-9-6-11/h1-2,4-6,10H,3H2
InChIKeyVSCZKUPZPFSRFS-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.08
Rot. Bonds3

About N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine

N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine (PubChem CID 4726979) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine
PubChem CID4726979
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC NameN-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine
SMILESc1cc(CNn2cnnc2)cs1
InChIInChI=1S/C7H8N4S/c1-2-12-4-7(1)3-10-11-5-8-9-6-11/h1-2,4-6,10H,3H2
InChIKeyVSCZKUPZPFSRFS-UHFFFAOYSA-N
XLogP1.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55027547
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
N-methyl-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]methanamine
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N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
1-methyl-4-nitro-3-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-5-amine
CID 66018784
1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
CID 71806154
azane;3-propylthiophene
CID 174446539

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine (CID 4726979) is N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine is c1cc(CNn2cnnc2)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine?
The InChIKey is VSCZKUPZPFSRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-12-4-7(1)3-10-11-5-8-9-6-11/h1-2,4-6,10H,3H2.
What are the key properties of N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine?
N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine has a molecular weight of 180.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 4726979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).