(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine

C8H8Cl2N4S — CID 107969143

IUPAC(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2N4S/c1-14-5(3-12-13-14)7(11)4-2-6(9)15-8(4)10/h2-3,7H,11H2,1H3
InChIKeyFAHBVYFGDOOWNR-UHFFFAOYSA-N
MW263.15 g/mol
LogP2.23
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 107969143) has the molecular formula C8H8Cl2N4S and a molecular weight of 263.15 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
PubChem CID107969143
Molecular FormulaC8H8Cl2N4S
Molecular Weight263.15 g/mol
Exact Mass261.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2N4S/c1-14-5(3-12-13-14)7(11)4-2-6(9)15-8(4)10/h2-3,7H,11H2,1H3
InChIKeyFAHBVYFGDOOWNR-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105043877
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 114688732
[(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970626
(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686969
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine (CID 107969143) is (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is FAHBVYFGDOOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4S/c1-14-5(3-12-13-14)7(11)4-2-6(9)15-8(4)10/h2-3,7H,11H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 263.15 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 107969143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).