(1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride

C7H10Cl2N4S — CID 119106441

IUPAC(1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H8N4S.2ClH/c8-3-6-4-11(10-9-6)7-1-2-12-5-7;;/h1-2,4-5H,3,8H2;2*1H
InChIKeyIVKAGCZDKGPHHW-UHFFFAOYSA-N
MW253.16 g/mol
LogP1.63
Rot. Bonds2

About (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride

(1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride (PubChem CID 119106441) has the molecular formula C7H10Cl2N4S and a molecular weight of 253.16 g/mol. Its IUPAC name is (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride
PubChem CID119106441
Molecular FormulaC7H10Cl2N4S
Molecular Weight253.16 g/mol
Exact Mass252.00
IUPAC Name(1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H8N4S.2ClH/c8-3-6-4-11(10-9-6)7-1-2-12-5-7;;/h1-2,4-5H,3,8H2;2*1H
InChIKeyIVKAGCZDKGPHHW-UHFFFAOYSA-N
XLogP1.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-N-{[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methyl}propane-1-sulfonamide
CID 122276098
Trimethyl-(1-thiophen-3-yltriazol-4-yl)silane
CID 10082339
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
1-Thiophen-3-yltriazole
CID 12454078
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247840
2-[4-[(Thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanamine
CID 65946757
N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
CID 66193282
N-[(1-methyltriazol-4-yl)methyl]thiophen-3-amine
CID 66350590
3-[4-[(Thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66352310
2-[4-[(Thiophen-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66352311
4-Amino-1-(3-thienyl)pyrazole
CID 66521556

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride (CID 119106441) is (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride is Cl.Cl.NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride?
The InChIKey is IVKAGCZDKGPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S.2ClH/c8-3-6-4-11(10-9-6)7-1-2-12-5-7;;/h1-2,4-5H,3,8H2;2*1H.
What are the key properties of (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride?
(1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride has a molecular weight of 253.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-3-yltriazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 119106441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).