(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

C10H10N4S2 — CID 105043877

IUPAC(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCn1nncc1C(N)c1cc2sccc2s1
InChIInChI=1S/C10H10N4S2/c1-14-6(5-12-13-14)10(11)9-4-8-7(16-9)2-3-15-8/h2-5,10H,11H2,1H3
InChIKeyORNHRUFWCIAVMQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.14
Rot. Bonds2

About (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 105043877) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID105043877
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCn1nncc1C(N)c1cc2sccc2s1
InChIInChI=1S/C10H10N4S2/c1-14-6(5-12-13-14)10(11)9-4-8-7(16-9)2-3-15-8/h2-5,10H,11H2,1H3
InChIKeyORNHRUFWCIAVMQ-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105038758
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048967
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 105043877) is (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is Cn1nncc1C(N)c1cc2sccc2s1.
What is the InChIKey of (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is ORNHRUFWCIAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-14-6(5-12-13-14)10(11)9-4-8-7(16-9)2-3-15-8/h2-5,10H,11H2,1H3.
What are the key properties of (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 105043877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).